4-chloro-2-(cyclohexylmethoxy)benzoic acid

C14H17ClO3 — CID 61379401

IUPAC4-chloro-2-(cyclohexylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC1CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
InChIKeyCLUYVTGZVRFCAL-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.00
Rot. Bonds4

About 4-chloro-2-(cyclohexylmethoxy)benzoic acid

4-chloro-2-(cyclohexylmethoxy)benzoic acid (PubChem CID 61379401) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylmethoxy)benzoic acid
PubChem CID61379401
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name4-chloro-2-(cyclohexylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1OCC1CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)
InChIKeyCLUYVTGZVRFCAL-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
5-chloro-2-(cyclohexylmethoxy)-3-methoxybenzoic acid
CID 104665725
4-bromo-2-(cyclopropylmethoxy)benzoic acid
CID 60763604
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 61379355
2-(cyclopropylmethoxy)-4-phenylbenzoic acid
CID 162369991
1-[[5-chloro-2-(cyclopentylmethoxy)phenyl]methyl]-5-methylpyrazole-4-carboxylic acid
CID 71610575
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylmethoxy)benzoic acid?
The IUPAC name of 4-chloro-2-(cyclohexylmethoxy)benzoic acid (CID 61379401) is 4-chloro-2-(cyclohexylmethoxy)benzoic acid.
What is the SMILES notation for 4-chloro-2-(cyclohexylmethoxy)benzoic acid?
The canonical SMILES for 4-chloro-2-(cyclohexylmethoxy)benzoic acid is O=C(O)c1ccc(Cl)cc1OCC1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexylmethoxy)benzoic acid?
The InChIKey is CLUYVTGZVRFCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17).
What are the key properties of 4-chloro-2-(cyclohexylmethoxy)benzoic acid?
4-chloro-2-(cyclohexylmethoxy)benzoic acid has a molecular weight of 268.74 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylmethoxy)benzoic acid is sourced from PubChem (CID 61379401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).