(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone

C17H12O3S2 — CID 90645574

IUPAC(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Sc2cccc(O)c2)s1
InChIInChI=1S/C17H12O3S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(22-15)21-14-3-1-2-13(19)10-14/h1-10,18-19H
InChIKeyDNFHYOQFRSFKFW-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.54
Rot. Bonds4

About (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone

(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone (PubChem CID 90645574) has the molecular formula C17H12O3S2 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone
PubChem CID90645574
Molecular FormulaC17H12O3S2
Molecular Weight328.41 g/mol
Exact Mass328.02
IUPAC Name(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone
SMILESO=C(c1ccc(O)cc1)c1ccc(Sc2cccc(O)c2)s1
InChIInChI=1S/C17H12O3S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(22-15)21-14-3-1-2-13(19)10-14/h1-10,18-19H
InChIKeyDNFHYOQFRSFKFW-UHFFFAOYSA-N
XLogP4.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Prifelone
CID 71751
(E)-1-(4-hydroxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5377854
[5-(4-Hydroxy-3,5-dimethylphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652933
(2,6-Difluoro-3-hydroxyphenyl)-[5-(4-hydroxy-3,5-dimethylphenyl)thiophen-2-yl]methanone
CID 122652946
[5-(4-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652962
(5-Phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652985
[5-(2-Hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl](4-hydroxyphenyl)methanone
CID 9863785
[3-(4-Fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]-(4-hydroxyphenyl)methanone
CID 127038229
Cyclohexyl-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone
CID 127042277
4-(4-Hydroxybenzoyl)-2-thiophenesulfonamide
CID 14639075
(4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-methanone
CID 14771930

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone (CID 90645574) is (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone is O=C(c1ccc(O)cc1)c1ccc(Sc2cccc(O)c2)s1.
What is the InChIKey of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone?
The InChIKey is DNFHYOQFRSFKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3S2/c18-12-6-4-11(5-7-12)17(20)15-8-9-16(22-15)21-14-3-1-2-13(19)10-14/h1-10,18-19H.
What are the key properties of (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone?
(4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[5-(3-hydroxyphenyl)sulfanylthiophen-2-yl]methanone is sourced from PubChem (CID 90645574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).