2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid

C16H22O5 — CID 65339146

IUPAC2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
SMILESCOc1ccc(COC2CCCC(OC)C2)cc1C(=O)O
InChIInChI=1S/C16H22O5/c1-19-12-4-3-5-13(9-12)21-10-11-6-7-15(20-2)14(8-11)16(17)18/h6-8,12-13H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyJVVVHHSVDDJEBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid

2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid (PubChem CID 65339146) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
PubChem CID65339146
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
SMILESCOc1ccc(COC2CCCC(OC)C2)cc1C(=O)O
InChIInChI=1S/C16H22O5/c1-19-12-4-3-5-13(9-12)21-10-11-6-7-15(20-2)14(8-11)16(17)18/h6-8,12-13H,3-5,9-10H2,1-2H3,(H,17,18)
InChIKeyJVVVHHSVDDJEBM-UHFFFAOYSA-N
XLogP2.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 107881229
2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid
CID 65339427
5-[[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124687981
5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
5-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 65344143
5-ethyl-2-methoxybenzoic acid
CID 20721149
4-[(3-bromo-4-methoxyphenyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451056
4-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methoxybenzoic acid
CID 106794169
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-methoxybenzoic acid
CID 65339032
1-bromo-4-methoxy-2-[(3-methoxycyclohexyl)oxymethyl]benzene
CID 65326385
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid (CID 65339146) is 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid is COc1ccc(COC2CCCC(OC)C2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid?
The InChIKey is JVVVHHSVDDJEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-19-12-4-3-5-13(9-12)21-10-11-6-7-15(20-2)14(8-11)16(17)18/h6-8,12-13H,3-5,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid?
2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid is sourced from PubChem (CID 65339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).