3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid

C15H19ClO3 — CID 112611895

IUPAC3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCC(Oc2c(Cl)cccc2C(=O)O)CC1
InChIInChI=1S/C15H19ClO3/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-5,10-11H,2,6-9H2,1H3,(H,17,18)
InChIKeyVCCHGTNGRDRGEO-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.39
Rot. Bonds4

About 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid

3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid (PubChem CID 112611895) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
PubChem CID112611895
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
SMILESCCC1CCC(Oc2c(Cl)cccc2C(=O)O)CC1
InChIInChI=1S/C15H19ClO3/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-5,10-11H,2,6-9H2,1H3,(H,17,18)
InChIKeyVCCHGTNGRDRGEO-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
3-chloro-2-heptoxybenzoic acid
CID 112611877
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
3-chloro-2-pentan-3-yloxybenzoic acid
CID 112612073
3-(4-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 81445886
3-chloro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621446
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid (CID 112611895) is 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid is CCC1CCC(Oc2c(Cl)cccc2C(=O)O)CC1.
What is the InChIKey of 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid?
The InChIKey is VCCHGTNGRDRGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-5,10-11H,2,6-9H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid?
3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid has a molecular weight of 282.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 112611895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).