(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone

C22H14O3S — CID 175684502

IUPAC(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc2cccc(O)c2c1=S
InChIInChI=1S/C22H14O3S/c23-16-12-7-13-17-18(16)22(26)19(20(24)14-8-3-1-4-9-14)21(25-17)15-10-5-2-6-11-15/h1-13,23H
InChIKeyXVEWFOPBSNDWFK-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.77
Rot. Bonds3

About (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone

(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone (PubChem CID 175684502) has the molecular formula C22H14O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
PubChem CID175684502
Molecular FormulaC22H14O3S
Molecular Weight358.42 g/mol
Exact Mass358.07
IUPAC Name(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc2cccc(O)c2c1=S
InChIInChI=1S/C22H14O3S/c23-16-12-7-13-17-18(16)22(26)19(20(24)14-8-3-1-4-9-14)21(25-17)15-10-5-2-6-11-15/h1-13,23H
InChIKeyXVEWFOPBSNDWFK-UHFFFAOYSA-N
XLogP5.77
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
CID 134835808
4-oxo-2-phenylchromene-3,5-dicarboxylic acid
CID 70037924
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
CID 134588362
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
(4-phenylphenyl)-(2-pyridin-2-yl-1-benzofuran-3-yl)methanone
CID 122208629
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
3-benzoyl-4-phenylchromen-2-one
CID 629843
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one
CID 1114099

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone?
The IUPAC name of (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone (CID 175684502) is (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone.
What is the SMILES notation for (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone?
The canonical SMILES for (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c(-c2ccccc2)oc2cccc(O)c2c1=S.
What is the InChIKey of (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone?
The InChIKey is XVEWFOPBSNDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3S/c23-16-12-7-13-17-18(16)22(26)19(20(24)14-8-3-1-4-9-14)21(25-17)15-10-5-2-6-11-15/h1-13,23H.
What are the key properties of (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone?
(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone has a molecular weight of 358.42 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone is sourced from PubChem (CID 175684502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).