3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid

C16H22O3 — CID 82827360

IUPAC3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
SMILESCCC1CCCC(Oc2cccc(C(=O)O)c2C)C1
InChIInChI=1S/C16H22O3/c1-3-12-6-4-7-13(10-12)19-15-9-5-8-14(11(15)2)16(17)18/h5,8-9,12-13H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeySWEPAFSQJSQDNI-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.04
Rot. Bonds4

About 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid

3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid (PubChem CID 82827360) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
PubChem CID82827360
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
SMILESCCC1CCCC(Oc2cccc(C(=O)O)c2C)C1
InChIInChI=1S/C16H22O3/c1-3-12-6-4-7-13(10-12)19-15-9-5-8-14(11(15)2)16(17)18/h5,8-9,12-13H,3-4,6-7,10H2,1-2H3,(H,17,18)
InChIKeySWEPAFSQJSQDNI-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic 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

4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
CID 81226169
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
3-[(4-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 43737246
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
methoxycyclopentane;2-methylbenzene-1,3-dicarboxylic acid
CID 174894159
2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
CID 112610922
2-methyl-3-[(4-propylcycloheptyl)amino]benzoic acid
CID 65086676
2-(3-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034372
3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
CID 79157029
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
2-methyl-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 67487822

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid (CID 82827360) is 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid is CCC1CCCC(Oc2cccc(C(=O)O)c2C)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid?
The InChIKey is SWEPAFSQJSQDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-12-6-4-7-13(10-12)19-15-9-5-8-14(11(15)2)16(17)18/h5,8-9,12-13H,3-4,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid?
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid is sourced from PubChem (CID 82827360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).