5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one

C12H13ClO — CID 115011001

IUPAC5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2c(Cl)cccc21
InChIInChI=1S/C12H13ClO/c1-12(2)9-4-3-5-10(13)8(9)6-7-11(12)14/h3-5H,6-7H2,1-2H3
InChIKeyQSVKBXFTJDVOMQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.13
Rot. Bonds

About 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one

5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one (PubChem CID 115011001) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
PubChem CID115011001
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one
SMILESCC1(C)C(=O)CCc2c(Cl)cccc21
InChIInChI=1S/C12H13ClO/c1-12(2)9-4-3-5-10(13)8(9)6-7-11(12)14/h3-5H,6-7H2,1-2H3
InChIKeyQSVKBXFTJDVOMQ-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-1,1-dimethyl-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

5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115020894
5-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 83753287
7-chloro-3,3-dimethyl-2H-inden-1-one
CID 131111050
7-chlorospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105478576
6-hydroxy-1,1,7-trimethyl-3,4-dihydrophenanthren-2-one
CID 73212506
2-tert-butyl-4-chloro-2,3-dihydroinden-1-one
CID 22172900
8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 135280999
8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010908
1-amino-5-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911210
(1-amino-4-chloro-2,3-dihydroinden-1-yl)methanol
CID 83908135
7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
CID 106702198
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The IUPAC name of 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one (CID 115011001) is 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one is CC1(C)C(=O)CCc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
The InChIKey is QSVKBXFTJDVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-12(2)9-4-3-5-10(13)8(9)6-7-11(12)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one?
5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one has a molecular weight of 208.69 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1-dimethyl-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 115011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).