3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one

C21H14O3S — CID 175174180

IUPAC3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one
SMILESO=c1c(Sc2ccccc2O)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H14O3S/c22-16-11-5-7-13-18(16)25-21-19(23)15-10-4-6-12-17(15)24-20(21)14-8-2-1-3-9-14/h1-13,22H
InChIKeyLCPLRNIBMAXZKK-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.32
Rot. Bonds3

About 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one

3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one (PubChem CID 175174180) has the molecular formula C21H14O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one
PubChem CID175174180
Molecular FormulaC21H14O3S
Molecular Weight346.41 g/mol
Exact Mass346.07
IUPAC Name3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one
SMILESO=c1c(Sc2ccccc2O)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C21H14O3S/c22-16-11-5-7-13-18(16)25-21-19(23)15-10-4-6-12-17(15)24-20(21)14-8-2-1-3-9-14/h1-13,22H
InChIKeyLCPLRNIBMAXZKK-UHFFFAOYSA-N
XLogP5.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one?
The IUPAC name of 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one (CID 175174180) is 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one?
The canonical SMILES for 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one is O=c1c(Sc2ccccc2O)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one?
The InChIKey is LCPLRNIBMAXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3S/c22-16-11-5-7-13-18(16)25-21-19(23)15-10-4-6-12-17(15)24-20(21)14-8-2-1-3-9-14/h1-13,22H.
What are the key properties of 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one?
3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one has a molecular weight of 346.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one is sourced from PubChem (CID 175174180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).