(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one

C17H14O4 — CID 99991049

IUPAC(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1)CC(=O)O2
InChIInChI=1S/C17H14O4/c1-10(18)12-7-8-14-16(17(12)20)13(9-15(19)21-14)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3/t13-/m1/s1
InChIKeyHIUTUMGESXTECA-CYBMUJFWSA-N
MW282.30 g/mol
LogP3.04
Rot. Bonds2

About (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one

(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 99991049) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID99991049
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1)CC(=O)O2
InChIInChI=1S/C17H14O4/c1-10(18)12-7-8-14-16(17(12)20)13(9-15(19)21-14)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3/t13-/m1/s1
InChIKeyHIUTUMGESXTECA-CYBMUJFWSA-N
XLogP3.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-acetyl-5-hydroxy-4-(4-propan-2-yloxyphenyl)-3,4-dihydrochromen-2-one
CID 99990961
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 99991768
6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 91636673
(4R)-6-benzoyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 124880025
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
(4R)-6-(4-chlorobenzoyl)-5-hydroxy-4-(4-methylsulfanylphenyl)-3,4-dihydrochromen-2-one
CID 125122081
6-acetyl-5-hydroxy-4-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-3,4-dihydrochromen-2-one
CID 91638420
7-[(4S)-6-acetyl-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 99994954
methyl 4-[(4S)-6-(4-chlorobenzoyl)-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]benzoate
CID 125122172
(4R)-6-(4-chlorobenzoyl)-5-hydroxy-4-pyridin-3-yl-3,4-dihydrochromen-2-one
CID 125124023

Frequently Asked Questions

What is the IUPAC name of (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one (CID 99991049) is (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one is CC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1)CC(=O)O2.
What is the InChIKey of (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is HIUTUMGESXTECA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14O4/c1-10(18)12-7-8-14-16(17(12)20)13(9-15(19)21-14)11-5-3-2-4-6-11/h2-8,13,20H,9H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one?
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 99991049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).