3,4-dihydroxy-6-phenylchromen-2-one

C15H10O4 — CID 54690428

IUPAC3,4-dihydroxy-6-phenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)cc2c(O)c1O
InChIInChI=1S/C15H10O4/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)19-15(18)14(13)17/h1-8,16-17H
InChIKeyMYWXHNDXDCIUEY-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.87
Rot. Bonds1

About 3,4-dihydroxy-6-phenylchromen-2-one

3,4-dihydroxy-6-phenylchromen-2-one (PubChem CID 54690428) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3,4-dihydroxy-6-phenylchromen-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-6-phenylchromen-2-one
PubChem CID54690428
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name3,4-dihydroxy-6-phenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)cc2c(O)c1O
InChIInChI=1S/C15H10O4/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)19-15(18)14(13)17/h1-8,16-17H
InChIKeyMYWXHNDXDCIUEY-UHFFFAOYSA-N
XLogP2.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
CID 164686322
2-methyl-7-phenylxanthen-9-one
CID 123326805
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2,10-bis(4-phenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440757
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
3-iodo-6-phenylchromen-2-one
CID 71734439
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
3-(2-amino-6-phenylpyrimidin-4-yl)-4-hydroxy-6-methylchromen-2-one
CID 135479945
2,10-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440758
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-6-phenylchromen-2-one?
The IUPAC name of 3,4-dihydroxy-6-phenylchromen-2-one (CID 54690428) is 3,4-dihydroxy-6-phenylchromen-2-one.
What is the SMILES notation for 3,4-dihydroxy-6-phenylchromen-2-one?
The canonical SMILES for 3,4-dihydroxy-6-phenylchromen-2-one is O=c1oc2ccc(-c3ccccc3)cc2c(O)c1O.
What is the InChIKey of 3,4-dihydroxy-6-phenylchromen-2-one?
The InChIKey is MYWXHNDXDCIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)19-15(18)14(13)17/h1-8,16-17H.
What are the key properties of 3,4-dihydroxy-6-phenylchromen-2-one?
3,4-dihydroxy-6-phenylchromen-2-one has a molecular weight of 254.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-6-phenylchromen-2-one is sourced from PubChem (CID 54690428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).