4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one

C18H18O — CID 22173366

IUPAC4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)C1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3
InChIKeyDKYAMPFHZOXPBD-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.36
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one

4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one (PubChem CID 22173366) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
PubChem CID22173366
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
SMILESCC(C)C1Cc2c(cccc2-c2ccccc2)C1=O
InChIInChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3
InChIKeyDKYAMPFHZOXPBD-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-2-propan-2-yl-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

3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
CID 11095650
4-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22172950
3-methyl-2-[2-(3-methyl-7-phenyl-1H-inden-2-yl)ethyl]-7-phenyl-1H-indene;2-[2-(3-oxo-7-phenyl-1,2-dihydroinden-2-yl)ethyl]-4-phenyl-2,3-dihydroinden-1-one
CID 159606911
2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
CID 22173484
4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22173236
(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 22875033
2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
CID 22173370
2-methyl-4-(3-nitrophenyl)-2,3-dihydroinden-1-one
CID 22172974
7-phenyl-2-propan-2-yl-1H-indene
CID 23295619
7-phenyl-2-[2-(7-phenyl-3-propan-2-yl-1H-inden-2-yl)ethyl]-3-propan-2-yl-1H-indene
CID 20656351
2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3052881
2-(difluoromethyl)-2,3-dihydroinden-1-one
CID 122371695

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one (CID 22173366) is 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one is CC(C)C1Cc2c(cccc2-c2ccccc2)C1=O.
What is the InChIKey of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
The InChIKey is DKYAMPFHZOXPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12(2)16-11-17-14(13-7-4-3-5-8-13)9-6-10-15(17)18(16)19/h3-10,12,16H,11H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one?
4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).