2-(3,4-dimethylcyclohexyl)oxybenzoic acid

C15H20O3 — CID 64745909

IUPAC2-(3,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccccc2C(=O)O)CC1C
InChIInChI=1S/C15H20O3/c1-10-7-8-12(9-11(10)2)18-14-6-4-3-5-13(14)15(16)17/h3-6,10-12H,7-9H2,1-2H3,(H,16,17)
InChIKeyRPAQWVZPPMDGFM-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxybenzoic acid

2-(3,4-dimethylcyclohexyl)oxybenzoic acid (PubChem CID 64745909) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxybenzoic acid
PubChem CID64745909
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(3,4-dimethylcyclohexyl)oxybenzoic acid
SMILESCC1CCC(Oc2ccccc2C(=O)O)CC1C
InChIInChI=1S/C15H20O3/c1-10-7-8-12(9-11(10)2)18-14-6-4-3-5-13(14)15(16)17/h3-6,10-12H,7-9H2,1-2H3,(H,16,17)
InChIKeyRPAQWVZPPMDGFM-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

2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
2-(3,4-dimethylcyclohexyl)oxy-3-nitrobenzoic acid
CID 115930765
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
2-(1-methylazepan-4-yl)oxybenzoic acid
CID 117053972
4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64746307
2-amino-4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 113419910

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxybenzoic acid (CID 64745909) is 2-(3,4-dimethylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxybenzoic acid is CC1CCC(Oc2ccccc2C(=O)O)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxybenzoic acid?
The InChIKey is RPAQWVZPPMDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-7-8-12(9-11(10)2)18-14-6-4-3-5-13(14)15(16)17/h3-6,10-12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxybenzoic acid?
2-(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 2-(3,4-dimethylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 64745909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).