CAS
92407-88-0 Purity
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92407-88-0 Purity
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[1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol
CAS
92408-01-0
Catalog Number
ACM92408010
Category
Other Products
Molecular Weight
285.77
Molecular Formula
C17H16ClNO
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Specification
Synonyms
[1-(4-CHLORO-BENZYL)-2-METHYL-1H-INDOL-3-YL]-METHANOL;1-[(4-CHLOROPHENYL)METHYL]-2-METHYL-1H-INDOLE-3-METHANOL;1H-INDOLE-3-METHANOL, 1-[(4-CHLOROPHENYL)METHYL]-2-METHYL-
IUPAC Name
1-(4-chlorobenzyl)-3-hydroxymethyl-2-methyl-1H-indole
Exact Mass
285.09200
What is the molecular formula of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The molecular formula is C17H16ClNO.
What is the IUPAC name of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The IUPAC name is [1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methanol.
What is the InChI of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The InChI is InChI=1S/C17H16ClNO/c1-12-16(11-20)15-4-2-3-5-17(15)19(12)10-13-6-8-14(18)9-7-13/h2-9,20H,10-11H2,1H3.
What is the InChIKey of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The InChIKey is RYULTYGQGOKUEN-UHFFFAOYSA-N.
What is the canonical SMILES of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The canonical SMILES is CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)CO.
What is the molecular weight of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The molecular weight is 285.8 g/mol.
What is the XLogP3-AA value of [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol?
The XLogP3-AA value is 3.7.
How many hydrogen bond donor counts does [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol have?
It has 1 hydrogen bond acceptor count.
How many rotatable bond counts does [1-(4-Chloro-benzyl)-2-methyl-1H-indol-3-yl]-methanol have?
It has 3 rotatable bond counts.
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