1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one

C18H18O — CID 10243846

IUPAC1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
SMILESCC1(Cc2ccccc2)C(=O)CCc2ccccc21
InChIInChI=1S/C18H18O/c1-18(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)11-12-17(18)19/h2-10H,11-13H2,1H3
InChIKeySYNWNWGZVQJOGN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.70
Rot. Bonds2

About 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one

1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one (PubChem CID 10243846) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
PubChem CID10243846
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
SMILESCC1(Cc2ccccc2)C(=O)CCc2ccccc21
InChIInChI=1S/C18H18O/c1-18(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)11-12-17(18)19/h2-10H,11-13H2,1H3
InChIKeySYNWNWGZVQJOGN-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-1-methyl-3,4-dihydronaphthalen-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

1-(3-bromopropyl)-1-methyl-3,4-dihydronaphthalen-2-one
CID 21410150
1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
CID 15148757
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
(1R,10bR)-1-benzyl-1,10b-dimethyl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 7344333
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2-benzyl-2-(methylamino)cyclopropan-1-one
CID 137398980
4,4-dibenzyl-1,1-dibromo-3H-naphthalen-2-one
CID 14120207
2-benzyl-4-methyl-4-prop-2-enyl-1H-isoquinolin-3-one
CID 53468157
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one (CID 10243846) is 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one is CC1(Cc2ccccc2)C(=O)CCc2ccccc21.
What is the InChIKey of 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one?
The InChIKey is SYNWNWGZVQJOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-18(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)11-12-17(18)19/h2-10H,11-13H2,1H3.
What are the key properties of 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one?
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 10243846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).