1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one

C14H18O — CID 170601933

IUPAC1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
SMILESCC(C)C1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C14H18O/c1-10(2)14(3)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,10H,8-9H2,1-3H3
InChIKeyIFKWXNWHRIIMIF-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds1

About 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one

1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one (PubChem CID 170601933) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
PubChem CID170601933
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
SMILESCC(C)C1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C14H18O/c1-10(2)14(3)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,10H,8-9H2,1-3H3
InChIKeyIFKWXNWHRIIMIF-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-1-propan-2-yl-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-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
CID 10243846
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
1-(3-bromopropyl)-1-methyl-3,4-dihydronaphthalen-2-one
CID 21410150
1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
CID 15148757
9,9,10-trimethyl-10-propan-2-ylanthracene
CID 177080300
3-(1-chloroethyl)-3-methyl-1,2-dihydroindene
CID 175734944
(1R)-5'-hydroxyspiro[3,4-dihydronaphthalene-1,2'-oxolane]-2-one
CID 102323319
1-propan-2-yl-3,4-dihydroisochromene-1-carbaldehyde
CID 12781280
ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
CID 177033709
(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one (CID 170601933) is 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one is CC(C)C1(C)C(=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one?
The InChIKey is IFKWXNWHRIIMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)14(3)12-7-5-4-6-11(12)8-9-13(14)15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one?
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 170601933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).