5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid

C14H17ClO3 — CID 55138471

IUPAC5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C14H17ClO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyIUHICXZBXUYESN-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.00
Rot. Bonds3

About 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid

5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid (PubChem CID 55138471) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
PubChem CID55138471
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C14H17ClO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyIUHICXZBXUYESN-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
2-(4-methylcyclohexyl)oxy-5-nitrobenzoic acid
CID 43184670
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
(4-methylcyclohexyl) 2-amino-5-chlorobenzoate
CID 63446664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid?
The IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid (CID 55138471) is 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid is CC1CCC(Oc2ccc(Cl)cc2C(=O)O)CC1.
What is the InChIKey of 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid?
The InChIKey is IUHICXZBXUYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid?
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid has a molecular weight of 268.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 55138471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).