7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one

C16H14O3S — CID 141243409

IUPAC7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc(C2CSc3cc(O)ccc3C2=O)cc1
InChIInChI=1S/C16H14O3S/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
InChIKeyNUACQPSTAVJORG-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.47
Rot. Bonds2

About 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one

7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one (PubChem CID 141243409) has the molecular formula C16H14O3S and a molecular weight of 286.35 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
PubChem CID141243409
Molecular FormulaC16H14O3S
Molecular Weight286.35 g/mol
Exact Mass286.07
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one
SMILESCOc1ccc(C2CSc3cc(O)ccc3C2=O)cc1
InChIInChI=1S/C16H14O3S/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
InChIKeyNUACQPSTAVJORG-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methoxy-3-phenyl-1H-isothiochromen-4(3H)-one
CID 308180
2-(4-methoxyphenyl)-4H-thiochromen-4-one
CID 2324877
2-Methoxythioxanthone
CID 617984
(Z)-3-(4-methoxybenzylidene)thiochroman-4-one
CID 6364803
4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
CID 100774
2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid
CID 1539829
7-Methoxythiochroman-4-one
CID 849527
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((2-methoxyphenyl)methylene)-, (Z)-
CID 6449196
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-hydroxy-3-methoxyphenyl)methylene)-, (Z)-
CID 6449198
4H-1-Benzothiopyran-4-one, 2,3-dihydro-6-methoxy-3-((4-methoxyphenyl)methylene)-, (Z)-
CID 6449201
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, 1,1-dioxide, (Z)-
CID 6449208
1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 2888409

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one (CID 141243409) is 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one is COc1ccc(C2CSc3cc(O)ccc3C2=O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
The InChIKey is NUACQPSTAVJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3S/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one?
7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one has a molecular weight of 286.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 141243409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).