[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone

C17H13ClO3S — CID 66587810

IUPAC[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(C1=CCC(c2ccc(O)c(Cl)c2)S1)c1cccc(O)c1
InChIInChI=1S/C17H13ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-5,7-9,15,19-20H,6H2
InChIKeyPUIASBRZMKDGLY-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.70
Rot. Bonds3

About [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone

[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone (PubChem CID 66587810) has the molecular formula C17H13ClO3S and a molecular weight of 332.81 g/mol. Its IUPAC name is [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone
PubChem CID66587810
Molecular FormulaC17H13ClO3S
Molecular Weight332.81 g/mol
Exact Mass332.03
IUPAC Name[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(C1=CCC(c2ccc(O)c(Cl)c2)S1)c1cccc(O)c1
InChIInChI=1S/C17H13ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-5,7-9,15,19-20H,6H2
InChIKeyPUIASBRZMKDGLY-UHFFFAOYSA-N
XLogP4.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone (CID 66587810) is [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone is O=C(C1=CCC(c2ccc(O)c(Cl)c2)S1)c1cccc(O)c1.
What is the InChIKey of [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is PUIASBRZMKDGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3S/c18-13-9-10(4-5-14(13)20)15-6-7-16(22-15)17(21)11-2-1-3-12(19)8-11/h1-5,7-9,15,19-20H,6H2.
What are the key properties of [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone?
[2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 332.81 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-hydroxyphenyl)-2,3-dihydrothiophen-5-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 66587810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).