(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one

C17H15FO3 — CID 132569592

IUPAC(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)C[C@H]2c1ccc(F)cc1
InChIInChI=1S/C17H15FO3/c1-20-12-7-14-15(19)9-13(17(14)16(8-12)21-2)10-3-5-11(18)6-4-10/h3-8,13H,9H2,1-2H3/t13-/m0/s1
InChIKeyBZYRYJWEDSBNGM-ZDUSSCGKSA-N
MW286.30 g/mol
LogP3.56
Rot. Bonds3

About (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one

(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one (PubChem CID 132569592) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
PubChem CID132569592
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)C[C@H]2c1ccc(F)cc1
InChIInChI=1S/C17H15FO3/c1-20-12-7-14-15(19)9-13(17(14)16(8-12)21-2)10-3-5-11(18)6-4-10/h3-8,13H,9H2,1-2H3/t13-/m0/s1
InChIKeyBZYRYJWEDSBNGM-ZDUSSCGKSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-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

(4R)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 7248901
(4S)-4-(3,5-difluorophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 40645350
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
4-(4-bromophenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312450
5,7-dimethoxy-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312453
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
CID 44568001
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
4-[4-[7-methoxy-5-(2-methoxyethoxy)-3-oxo-1,2-dihydroinden-1-yl]phenyl]morpholin-3-one
CID 178076124
4-(2-fluoro-3-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 169422029
2-(5,7-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-N-methylacetamide
CID 82160021
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17312454
5,7-dimethoxy-1,2-dihydroindol-3-one
CID 96623944

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one (CID 132569592) is (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one is COc1cc(OC)c2c(c1)C(=O)C[C@H]2c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one?
The InChIKey is BZYRYJWEDSBNGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-12-7-14-15(19)9-13(17(14)16(8-12)21-2)10-3-5-11(18)6-4-10/h3-8,13H,9H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one?
(3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one has a molecular weight of 286.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 132569592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).