4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one

C15H14O4 — CID 174742399

IUPAC4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one
SMILESO=C1C(c2ccccc2)OC2=CC=CC(O)C2C1O
InChIInChI=1S/C15H14O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,10,12-13,15-17H
InChIKeyRLFQILXELAGOOC-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.12
Rot. Bonds1

About 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one

4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one (PubChem CID 174742399) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one.

Molecular Properties

Compound Name4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one
PubChem CID174742399
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one
SMILESO=C1C(c2ccccc2)OC2=CC=CC(O)C2C1O
InChIInChI=1S/C15H14O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,10,12-13,15-17H
InChIKeyRLFQILXELAGOOC-UHFFFAOYSA-N
XLogP1.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-amino-3-hydroxy-2-phenyl-2H-furan-5-one
CID 71437125
2-phenyl-4a,5-dihydrochromene-3,4-dione
CID 67065449
2-hydroxy-6-phenyl-2H-pyran-5-one
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(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(1S,2S)-3-[(R)-phenylsulfinyl]cyclohexa-3,5-diene-1,2-diol
CID 139192472
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
(4R,7Z,9R,10S,13Z,15R,16S)-9,15-dihydroxy-10,16-dimethyl-4-phenyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 142724544
(3aR,4S,7R,7aR)-2-(4-chlorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11915068
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one?
The IUPAC name of 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one (CID 174742399) is 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one.
What is the SMILES notation for 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one?
The canonical SMILES for 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one is O=C1C(c2ccccc2)OC2=CC=CC(O)C2C1O.
What is the InChIKey of 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one?
The InChIKey is RLFQILXELAGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-10-7-4-8-11-12(10)13(17)14(18)15(19-11)9-5-2-1-3-6-9/h1-8,10,12-13,15-17H.
What are the key properties of 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one?
4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one has a molecular weight of 258.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-2-phenyl-4a,5-dihydro-4H-chromen-3-one is sourced from PubChem (CID 174742399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).