1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one

C21H22O — CID 132604356

IUPAC1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
SMILESCCCC1=C(c2ccccc2)c2ccccc2C(C)(C)C1=O
InChIInChI=1S/C21H22O/c1-4-10-17-19(15-11-6-5-7-12-15)16-13-8-9-14-18(16)21(2,3)20(17)22/h5-9,11-14H,4,10H2,1-3H3
InChIKeyDSZSXRVVSWGKCM-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.15
Rot. Bonds3

About 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one

1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one (PubChem CID 132604356) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one.

Molecular Properties

Compound Name1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
PubChem CID132604356
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
SMILESCCCC1=C(c2ccccc2)c2ccccc2C(C)(C)C1=O
InChIInChI=1S/C21H22O/c1-4-10-17-19(15-11-6-5-7-12-15)16-13-8-9-14-18(16)21(2,3)20(17)22/h5-9,11-14H,4,10H2,1-3H3
InChIKeyDSZSXRVVSWGKCM-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-dimethyl-4-phenyl-3-propylnaphthalen-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

4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
CID 628791
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
1-propylazulene
CID 10397225
1-(iodomethyl)-1-methyl-2,3-diphenylindene
CID 102347889
2-(3-methylbutyl)-3-phenylinden-1-one
CID 177453798
5-ethyl-3,3-dimethyl-6-phenylpyran-2,4-dione
CID 22213990
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
1,1,4,4-tetramethyl-3,6-bis[4-(N-phenylanilino)phenyl]pentalene-2,5-dione
CID 118655435
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2-methyl-3-propylnaphthalene-1,4-dione
CID 12765187

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one?
The IUPAC name of 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one (CID 132604356) is 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one.
What is the SMILES notation for 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one?
The canonical SMILES for 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one is CCCC1=C(c2ccccc2)c2ccccc2C(C)(C)C1=O.
What is the InChIKey of 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one?
The InChIKey is DSZSXRVVSWGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-4-10-17-19(15-11-6-5-7-12-15)16-13-8-9-14-18(16)21(2,3)20(17)22/h5-9,11-14H,4,10H2,1-3H3.
What are the key properties of 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one?
1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one has a molecular weight of 290.41 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one is sourced from PubChem (CID 132604356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).