(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one

C15H12O5 — CID 101023174

IUPAC(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one
SMILESO=C1Cc2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
InChIInChI=1S/C15H12O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,15-18H,5H2/t15-/m1/s1
InChIKeyMVLSHQPBYDAOJJ-OAHLLOKOSA-N
MW272.26 g/mol
LogP2.05
Rot. Bonds1

About (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one

(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one (PubChem CID 101023174) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one
PubChem CID101023174
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one
SMILESO=C1Cc2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
InChIInChI=1S/C15H12O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,15-18H,5H2/t15-/m1/s1
InChIKeyMVLSHQPBYDAOJJ-OAHLLOKOSA-N
XLogP2.05
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-7-hydroxy-2-phenyl-4H-chromen-3-one
CID 70979390
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-one
CID 70318924
2-(3,5-dihydroxyphenyl)-4H-chromen-3-one
CID 146216391
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
3,11-bis(3,4-dihydroxyphenyl)-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1,5,7,9(18),10(17),13,15-heptaene-7,15-diol
CID 75178413
2-(4-aminophenyl)-4H-chromen-3-one
CID 70503368
2-(3,4-dihydroxyphenyl)-4,7-dihydroxy-5-methoxy-4H-chromen-3-one
CID 91597186
(2R,3S,4R)-4-[2-[(2R,3S)-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-4,5-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162973256
2-[4-(trifluoromethylsulfonyl)phenyl]-4H-chromen-3-one
CID 67424419
2-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
CID 74977156
1,4-bis(3,4-dihydroxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 6454034
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one?
The IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one (CID 101023174) is (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one.
What is the SMILES notation for (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one?
The canonical SMILES for (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one is O=C1Cc2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1.
What is the InChIKey of (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one?
The InChIKey is MVLSHQPBYDAOJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,15-18H,5H2/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one?
(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one has a molecular weight of 272.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-3-one is sourced from PubChem (CID 101023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).