(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one

C17H16O2 — CID 822750

IUPAC(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCCc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2
InChIInChI=1S/C17H16O2/c1-2-12-8-9-16-15(10-12)14(11-17(18)19-16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3/t14-/m1/s1
InChIKeyAFMJVGHAHFCJIN-CQSZACIVSA-N
MW252.31 g/mol
LogP3.69
Rot. Bonds2

About (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one

(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 822750) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID822750
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCCc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2
InChIInChI=1S/C17H16O2/c1-2-12-8-9-16-15(10-12)14(11-17(18)19-16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3/t14-/m1/s1
InChIKeyAFMJVGHAHFCJIN-CQSZACIVSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-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

8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
CID 24807051
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
(4R)-6-acetyl-4-phenyl-3,4-dihydrochromen-2-one;4-(hydroxymethyl)-2-[(1R)-3-hydroxy-1-phenylpropyl]phenol
CID 158898022
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457
4-(4-ethylphenyl)oxane-2,6-dione
CID 82127294
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 139189482
6-ethyl-4-phenyl-3,4-dihydroisoquinoline
CID 175689448
(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione
CID 132851470
2-methylidene-4-phenyl-3,4-dihydrochromene-6-carboxylic acid
CID 23533004
(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049

Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one (CID 822750) is (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one is CCc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2.
What is the InChIKey of (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is AFMJVGHAHFCJIN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-12-8-9-16-15(10-12)14(11-17(18)19-16)13-6-4-3-5-7-13/h3-10,14H,2,11H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one?
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 822750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).