Structure

Acolbifene

CAS
151533-34-5
Catalog Number
ACM151533345
Category
Other Products
Molecular Weight
457.567
Molecular Formula
C29H31NO4

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Specification

Synonyms
ACOLBIFENE;2-[4-[2-(1-piperidino)ethoxy]phenyl]-3-(4-hydroxyphenyl)-4-Methyl-7-hydroxy-2H-1-benzopyran;rac-Acolbifene
What is the molecular formula of Acolbifene?

The molecular formula of Acolbifene is C29H31NO4.

What is the molecular weight of Acolbifene?

The molecular weight of Acolbifene is 457.6 g/mol.

What is the IUPAC Name of Acolbifene?

The IUPAC Name of Acolbifene is (2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol.

What is the InChIKey of Acolbifene?

The InChIKey of Acolbifene is DUYNJNWVGIWJRI-LJAQVGFWSA-N.

What is the Canonical SMILES of Acolbifene?

The Canonical SMILES of Acolbifene is CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.

What is the CAS number of Acolbifene?

The CAS number of Acolbifene is 182167-02-8.

How many hydrogen bond donor count does Acolbifene have?

Acolbifene has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Acolbifene?

The XLogP3-AA value of Acolbifene is 5.2.

How many rotatable bond counts does Acolbifene have?

Acolbifene has 6 rotatable bond counts.

What is the topological polar surface area of Acolbifene?

The topological polar surface area of Acolbifene is 62.2 Å2.

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