2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid

C16H22O4 — CID 65339427

IUPAC2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid
SMILESCOc1ccc(COC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C16H22O4/c1-11-5-3-4-6-14(11)20-10-12-7-8-15(19-2)13(9-12)16(17)18/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyPWIUMCUUHQNHMF-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.49
Rot. Bonds5

About 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid

2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid (PubChem CID 65339427) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid
PubChem CID65339427
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid
SMILESCOc1ccc(COC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C16H22O4/c1-11-5-3-4-6-14(11)20-10-12-7-8-15(19-2)13(9-12)16(17)18/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyPWIUMCUUHQNHMF-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 65339146
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
5-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-2-carboxylic acid
CID 65293886
2-[(2-methylcyclohexyl)oxymethyl]furan-3-carboxylic acid
CID 43477499
5-ethyl-2-methoxybenzoic acid
CID 20721149
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
5-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-methoxybenzoic acid
CID 65339032
3-bromo-4-[(2-methylcyclohexyl)oxymethyl]benzoic acid
CID 102765387
5-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzoic acid
CID 107881104
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
5-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-methoxybenzoic acid
CID 40789040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid (CID 65339427) is 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid is COc1ccc(COC2CCCCC2C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid?
The InChIKey is PWIUMCUUHQNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-11-5-3-4-6-14(11)20-10-12-7-8-15(19-2)13(9-12)16(17)18/h7-9,11,14H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid?
2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid is sourced from PubChem (CID 65339427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).