(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one

C22H18O4 — CID 150532948

IUPAC(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C22H18O4/c1-25-18-11-12-19-20(24)14-22(26-21(19)13-18,15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-13,23H,14H2,1H3/t22-/m0/s1
InChIKeyIEFPZDCKTVLHNF-QFIPXVFZSA-N
MW346.38 g/mol
LogP4.31
Rot. Bonds3

About (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one

(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one (PubChem CID 150532948) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
PubChem CID150532948
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one
SMILESCOc1ccc2c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1)CC2=O
InChIInChI=1S/C22H18O4/c1-25-18-11-12-19-20(24)14-22(26-21(19)13-18,15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-13,23H,14H2,1H3/t22-/m0/s1
InChIKeyIEFPZDCKTVLHNF-QFIPXVFZSA-N
XLogP4.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-methoxy-2,2-dimethyl-3-phenyl-4H-chromen-3-yl)phenol
CID 57012204
(2R)-2-(difluoromethyl)-2-hydroxy-7-methoxy-3H-chromen-4-one
CID 691652
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
CID 11826912
5,7-dimethoxy-2-(3-methoxyphenyl)-2-phenyl-3H-chromen-4-one
CID 172559489
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
6-hydroxy-2-methoxy-2-phenyl-3H-chromen-4-one
CID 174473612
7-methoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108782006
(1aR,7aS)-4-methoxy-1a-methyl-7a-phenyloxireno[2,3-b]chromen-7-one
CID 1276783
(2R)-2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 744444
2-hydroxy-7-methoxy-2-(1,1,2,2-tetrafluoroethyl)-3H-chromen-4-one
CID 2849054
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
CID 102208245
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one?
The IUPAC name of (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one (CID 150532948) is (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one?
The canonical SMILES for (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one is COc1ccc2c(c1)O[C@@](c1ccccc1)(c1ccc(O)cc1)CC2=O.
What is the InChIKey of (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one?
The InChIKey is IEFPZDCKTVLHNF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-18-11-12-19-20(24)14-22(26-21(19)13-18,15-5-3-2-4-6-15)16-7-9-17(23)10-8-16/h2-13,23H,14H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one?
(2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one has a molecular weight of 346.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenyl)-7-methoxy-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 150532948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).