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

C16H22O4 — CID 63862291

IUPAC2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
SMILESCCC1CCCCC1Oc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C16H22O4/c1-3-11-6-4-5-7-14(11)20-15-10-12(19-2)8-9-13(15)16(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyOOVURFKABDAZTF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.74
Rot. Bonds5

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

2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid (PubChem CID 63862291) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
PubChem CID63862291
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
SMILESCCC1CCCCC1Oc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C16H22O4/c1-3-11-6-4-5-7-14(11)20-15-10-12(19-2)8-9-13(15)16(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18)
InChIKeyOOVURFKABDAZTF-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-fluorobenzoic acid
CID 107014244
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde
CID 63862151
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
3-[2-(2-ethylcyclohexyl)oxy-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706920
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
4-methoxy-2-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 81303992
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid?
The IUPAC name of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid (CID 63862291) is 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid.
What is the SMILES notation for 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid?
The canonical SMILES for 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid is CCC1CCCCC1Oc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid?
The InChIKey is OOVURFKABDAZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-3-11-6-4-5-7-14(11)20-15-10-12(19-2)8-9-13(15)16(17)18/h8-11,14H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid?
2-(2-ethylcyclohexyl)oxy-4-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 2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid is sourced from PubChem (CID 63862291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).