5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid

C15H19ClO3 — CID 114340744

IUPAC5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C15H19ClO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8H2,1-2H3,(H,17,18)
InChIKeyYVUCDWDRHANAOM-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.39
Rot. Bonds3

About 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid

5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid (PubChem CID 114340744) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
PubChem CID114340744
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1(C)CCC(Oc2ccc(Cl)cc2C(=O)O)CC1
InChIInChI=1S/C15H19ClO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8H2,1-2H3,(H,17,18)
InChIKeyYVUCDWDRHANAOM-UHFFFAOYSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-amino-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341713
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
2-amino-5-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114341710
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
(3S,4aR,6S,8aR)-6-(2-carboxy-4-chlorophenoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 91492610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid (CID 114340744) is 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid is CC1(C)CCC(Oc2ccc(Cl)cc2C(=O)O)CC1.
What is the InChIKey of 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
The InChIKey is YVUCDWDRHANAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-15(2)7-5-11(6-8-15)19-13-4-3-10(16)9-12(13)14(17)18/h3-4,9,11H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid?
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid has a molecular weight of 282.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 114340744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).