2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid

C15H19ClO2 — CID 81020551

IUPAC2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClO2/c1-10-6-7-13(15(17)18)12(8-10)9-11-4-2-3-5-14(11)16/h2-5,10,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyFBJNHSBGEXUFIA-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.02
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid

2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 81020551) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID81020551
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(Cc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClO2/c1-10-6-7-13(15(17)18)12(8-10)9-11-4-2-3-5-14(11)16/h2-5,10,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyFBJNHSBGEXUFIA-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
2-[(2-chloro-4-methylphenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 106870915
2-[(2-chloro-6-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021366
2-[(5-chloro-2-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103051728
2-[(4-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021533
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
2-[(2,5-difluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020545
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
2-[(2-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81020954
4-methyl-2-(2-phenylsulfanylethyl)cyclohexane-1-carboxylic acid
CID 81021281
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid (CID 81020551) is 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is FBJNHSBGEXUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-10-6-7-13(15(17)18)12(8-10)9-11-4-2-3-5-14(11)16/h2-5,10,12-13H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid?
2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 266.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).