(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone

C29H20O3S — CID 71493411

IUPAC(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C29H20O3S/c30-24-15-8-7-14-21(24)28(31)23-18-22(19-10-3-1-4-11-19)29(32)26(20-12-5-2-6-13-20)27(23)25-16-9-17-33-25/h1-18,30,32H
InChIKeyBJLWLESFBNCWGW-UHFFFAOYSA-N
MW448.54 g/mol
LogP7.39
Rot. Bonds5

About (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone

(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 71493411) has the molecular formula C29H20O3S and a molecular weight of 448.54 g/mol. Its IUPAC name is (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone
PubChem CID71493411
Molecular FormulaC29H20O3S
Molecular Weight448.54 g/mol
Exact Mass448.11
IUPAC Name(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1cccs1
InChIInChI=1S/C29H20O3S/c30-24-15-8-7-14-21(24)28(31)23-18-22(19-10-3-1-4-11-19)29(32)26(20-12-5-2-6-13-20)27(23)25-16-9-17-33-25/h1-18,30,32H
InChIKeyBJLWLESFBNCWGW-UHFFFAOYSA-N
XLogP7.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone (CID 71493411) is (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1-c1cccs1.
What is the InChIKey of (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is BJLWLESFBNCWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O3S/c30-24-15-8-7-14-21(24)28(31)23-18-22(19-10-3-1-4-11-19)29(32)26(20-12-5-2-6-13-20)27(23)25-16-9-17-33-25/h1-18,30,32H.
What are the key properties of (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone?
(4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 448.54 g/mol, XLogP of 7.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-diphenyl-2-thiophen-2-ylphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 71493411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).