4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol

C16H16O2S — CID 2810121

IUPAC4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol
SMILESCOc1cccc(C2(O)CCSc3ccccc32)c1
InChIInChI=1S/C16H16O2S/c1-18-13-6-4-5-12(11-13)16(17)9-10-19-15-8-3-2-7-14(15)16/h2-8,11,17H,9-10H2,1H3
InChIKeyIXMYJCAYTVLKIS-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds2

About 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol

4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol (PubChem CID 2810121) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol
PubChem CID2810121
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol
SMILESCOc1cccc(C2(O)CCSc3ccccc32)c1
InChIInChI=1S/C16H16O2S/c1-18-13-6-4-5-12(11-13)16(17)9-10-19-15-8-3-2-7-14(15)16/h2-8,11,17H,9-10H2,1H3
InChIKeyIXMYJCAYTVLKIS-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol?
The IUPAC name of 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol (CID 2810121) is 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol.
What is the SMILES notation for 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol?
The canonical SMILES for 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol is COc1cccc(C2(O)CCSc3ccccc32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol?
The InChIKey is IXMYJCAYTVLKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-18-13-6-4-5-12(11-13)16(17)9-10-19-15-8-3-2-7-14(15)16/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol?
4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol has a molecular weight of 272.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2,3-dihydrothiochromen-4-ol is sourced from PubChem (CID 2810121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).