4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid

C15H18O3 — CID 82295233

IUPAC4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
SMILESCCOc1ccc(C2CC=C(C(=O)O)CC2)cc1
InChIInChI=1S/C15H18O3/c1-2-18-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h5,7-11H,2-4,6H2,1H3,(H,16,17)
InChIKeyIOKZQACKMUVUDK-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid

4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid (PubChem CID 82295233) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
PubChem CID82295233
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
SMILESCCOc1ccc(C2CC=C(C(=O)O)CC2)cc1
InChIInChI=1S/C15H18O3/c1-2-18-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h5,7-11H,2-4,6H2,1H3,(H,16,17)
InChIKeyIOKZQACKMUVUDK-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
CID 18338636
4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid
CID 82294748
4-(3-methoxyphenyl)cyclohexene-1-carboxylic acid
CID 82289572
propyl 4-[4-(4-pentoxyphenyl)phenyl]cyclohexene-1-carboxylate
CID 19986788
propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986835
methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986650
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
4-(4-ethoxyphenyl)piperidine
CID 21495191
2-[4-(4-ethoxyphenyl)cyclohexyl]hex-2-enoic acid
CID 67788815
carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene
CID 88752669
2-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid?
The IUPAC name of 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid (CID 82295233) is 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid?
The canonical SMILES for 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid is CCOc1ccc(C2CC=C(C(=O)O)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid?
The InChIKey is IOKZQACKMUVUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-18-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(16)17/h5,7-11H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid?
4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid is sourced from PubChem (CID 82295233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).