2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone

C17H15FO — CID 113399939

IUPAC2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15FO/c1-11-9-15(18)7-8-16(11)17(19)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyYMXPBRJEFHNSTB-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.85
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone

2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone (PubChem CID 113399939) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
PubChem CID113399939
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H15FO/c1-11-9-15(18)7-8-16(11)17(19)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3
InChIKeyYMXPBRJEFHNSTB-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone 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

2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107123674
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
1,3-dihydro-2-benzofuran-5-yl-(4-fluoro-2-iodophenyl)methanone
CID 114029198

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone (CID 113399939) is 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is YMXPBRJEFHNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-11-9-15(18)7-8-16(11)17(19)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone?
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 254.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 113399939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).