4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid

C16H22O4 — CID 63862114

IUPAC4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
SMILESCCC1CCCCC1Oc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C16H22O4/c1-3-11-6-4-5-7-13(11)20-14-9-8-12(16(17)18)10-15(14)19-2/h8-11,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyAKJOIQGUFJRZNA-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.74
Rot. Bonds5

About 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid

4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid (PubChem CID 63862114) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
PubChem CID63862114
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
SMILESCCC1CCCCC1Oc1ccc(C(=O)O)cc1OC
InChIInChI=1S/C16H22O4/c1-3-11-6-4-5-7-13(11)20-14-9-8-12(16(17)18)10-15(14)19-2/h8-11,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyAKJOIQGUFJRZNA-UHFFFAOYSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
2-(2-ethylcyclohexyl)oxypyridine-4-carboxylic acid
CID 43095091
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
CID 63357412
4-[(2-ethylcyclohexyl)oxymethyl]-3-fluorobenzoic acid
CID 63073948
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
3-methoxy-4-(thian-4-yloxy)benzoic acid
CID 117424675
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
4-(1,1-dioxothiolan-3-yl)oxy-3-methoxybenzoic acid
CID 54914913

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid (CID 63862114) is 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid is CCC1CCCCC1Oc1ccc(C(=O)O)cc1OC.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid?
The InChIKey is AKJOIQGUFJRZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-11-6-4-5-7-13(11)20-14-9-8-12(16(17)18)10-15(14)19-2/h8-11,13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid?
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid is sourced from PubChem (CID 63862114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).