2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid

C15H19ClO2 — CID 21454143

IUPAC2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid
SMILESCc1cc(C(Cl)C(=O)O)ccc1C1CCCCC1
InChIInChI=1S/C15H19ClO2/c1-10-9-12(14(16)15(17)18)7-8-13(10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3,(H,17,18)
InChIKeyIEYGWUJYTVFJQC-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid

2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid (PubChem CID 21454143) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid
PubChem CID21454143
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid
SMILESCc1cc(C(Cl)C(=O)O)ccc1C1CCCCC1
InChIInChI=1S/C15H19ClO2/c1-10-9-12(14(16)15(17)18)7-8-13(10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3,(H,17,18)
InChIKeyIEYGWUJYTVFJQC-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid?
The IUPAC name of 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid (CID 21454143) is 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid?
The canonical SMILES for 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid is Cc1cc(C(Cl)C(=O)O)ccc1C1CCCCC1.
What is the InChIKey of 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid?
The InChIKey is IEYGWUJYTVFJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-10-9-12(14(16)15(17)18)7-8-13(10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid?
2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid has a molecular weight of 266.77 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-cyclohexyl-3-methylphenyl)acetic acid is sourced from PubChem (CID 21454143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).