2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

C26H20O4 — CID 7273664

IUPAC2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2c(C)c3oc([C@@H](O)c4ccccc4)c(-c4ccccc4)c3cc12
InChIInChI=1S/C26H20O4/c1-15-13-21(27)29-24-16(2)25-20(14-19(15)24)22(17-9-5-3-6-10-17)26(30-25)23(28)18-11-7-4-8-12-18/h3-14,23,28H,1-2H3/t23-/m0/s1
InChIKeyBCSZGUYBTBKQKG-QHCPKHFHSA-N
MW396.44 g/mol
LogP5.90
Rot. Bonds3

About 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one (PubChem CID 7273664) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one
PubChem CID7273664
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2c(C)c3oc([C@@H](O)c4ccccc4)c(-c4ccccc4)c3cc12
InChIInChI=1S/C26H20O4/c1-15-13-21(27)29-24-16(2)25-20(14-19(15)24)22(17-9-5-3-6-10-17)26(30-25)23(28)18-11-7-4-8-12-18/h3-14,23,28H,1-2H3/t23-/m0/s1
InChIKeyBCSZGUYBTBKQKG-QHCPKHFHSA-N
XLogP5.90
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5,9-trimethyl-3-phenylfuro[3,2-g]chromen-7-one
CID 907369
2-[(1R)-1-methoxyethyl]-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 1239680
2-benzoyl-3-ethyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 631400
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
CID 122537803
(2R)-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetic acid
CID 978425
(2S)-2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]propanamide
CID 40634128
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
8-[hydroxy-(2-methoxyphenyl)methyl]-4-methyl-9-pyridin-3-ylfuro[2,3-h]chromen-2-one
CID 169173346
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-[(4-benzylpiperazin-1-yl)methyl]-2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 59939080

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one (CID 7273664) is 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one is Cc1cc(=O)oc2c(C)c3oc([C@@H](O)c4ccccc4)c(-c4ccccc4)c3cc12.
What is the InChIKey of 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one?
The InChIKey is BCSZGUYBTBKQKG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H20O4/c1-15-13-21(27)29-24-16(2)25-20(14-19(15)24)22(17-9-5-3-6-10-17)26(30-25)23(28)18-11-7-4-8-12-18/h3-14,23,28H,1-2H3/t23-/m0/s1.
What are the key properties of 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one?
2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one has a molecular weight of 396.44 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-hydroxy(phenyl)methyl]-5,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 7273664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).