4-(3,4-dimethylcyclohexyl)oxybenzoic acid

C15H20O3 — CID 64746307

IUPAC4-(3,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccc(C(=O)O)cc2)CC1C
InChIInChI=1S/C15H20O3/c1-10-3-6-14(9-11(10)2)18-13-7-4-12(5-8-13)15(16)17/h4-5,7-8,10-11,14H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyAAOHHMWVNPEVQL-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds3

About 4-(3,4-dimethylcyclohexyl)oxybenzoic acid

4-(3,4-dimethylcyclohexyl)oxybenzoic acid (PubChem CID 64746307) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxybenzoic acid
PubChem CID64746307
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(3,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccc(C(=O)O)cc2)CC1C
InChIInChI=1S/C15H20O3/c1-10-3-6-14(9-11(10)2)18-13-7-4-12(5-8-13)15(16)17/h4-5,7-8,10-11,14H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyAAOHHMWVNPEVQL-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910
4-amino-3-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64740775
N-[1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]propylidene]hydroxylamine
CID 77054350
4-(3,4-dimethylcyclohexyl)oxy-3,5-difluorobenzoic acid
CID 64746105
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
4-(3,4-dimethylcyclohexyl)oxythiophene-2-carboxylic acid
CID 66437133
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
4-(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-6-yloxy)benzoic acid;zinc
CID 175182498
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
4-[4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]benzoic acid
CID 90177022

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxybenzoic acid (CID 64746307) is 4-(3,4-dimethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxybenzoic acid is CC1CCC(Oc2ccc(C(=O)O)cc2)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The InChIKey is AAOHHMWVNPEVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-3-6-14(9-11(10)2)18-13-7-4-12(5-8-13)15(16)17/h4-5,7-8,10-11,14H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxybenzoic acid?
4-(3,4-dimethylcyclohexyl)oxybenzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 64746307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).