7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C12H13ClO2 — CID 115057000

IUPAC7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2cc(Cl)ccc2CCC1C(=O)O
InChIInChI=1S/C12H13ClO2/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10H,3,5H2,1H3,(H,14,15)
InChIKeyUZAZKSNHZUFVKS-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.09
Rot. Bonds1

About 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 115057000) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID115057000
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1c2cc(Cl)ccc2CCC1C(=O)O
InChIInChI=1S/C12H13ClO2/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10H,3,5H2,1H3,(H,14,15)
InChIKeyUZAZKSNHZUFVKS-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 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

7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
7-chloro-1-cyclopentyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057981
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
[(1R,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 151448831
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
2-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 115867597
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
8-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115056927
7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 115057000) is 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is CC1c2cc(Cl)ccc2CCC1C(=O)O.
What is the InChIKey of 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is UZAZKSNHZUFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-7-10(12(14)15)5-3-8-2-4-9(13)6-11(7)8/h2,4,6-7,10H,3,5H2,1H3,(H,14,15).
What are the key properties of 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 224.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).