5-chloro-2-cyclohexyloxybenzoic acid

C13H15ClO3 — CID 43141867

IUPAC5-chloro-2-cyclohexyloxybenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC1CCCCC1
InChIInChI=1S/C13H15ClO3/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyBCCJLFPBHRLUNG-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.75
Rot. Bonds3

About 5-chloro-2-cyclohexyloxybenzoic acid

5-chloro-2-cyclohexyloxybenzoic acid (PubChem CID 43141867) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 5-chloro-2-cyclohexyloxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-cyclohexyloxybenzoic acid
PubChem CID43141867
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name5-chloro-2-cyclohexyloxybenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1OC1CCCCC1
InChIInChI=1S/C13H15ClO3/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16)
InChIKeyBCCJLFPBHRLUNG-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
2-cyclopentyloxy-5-iodobenzoic acid
CID 82995934
(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
CID 125118569
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclohexyloxybenzoic acid?
The IUPAC name of 5-chloro-2-cyclohexyloxybenzoic acid (CID 43141867) is 5-chloro-2-cyclohexyloxybenzoic acid.
What is the SMILES notation for 5-chloro-2-cyclohexyloxybenzoic acid?
The canonical SMILES for 5-chloro-2-cyclohexyloxybenzoic acid is O=C(O)c1cc(Cl)ccc1OC1CCCCC1.
What is the InChIKey of 5-chloro-2-cyclohexyloxybenzoic acid?
The InChIKey is BCCJLFPBHRLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,16).
What are the key properties of 5-chloro-2-cyclohexyloxybenzoic acid?
5-chloro-2-cyclohexyloxybenzoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohexyloxybenzoic acid is sourced from PubChem (CID 43141867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).