methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate

C16H20O4 — CID 67302137

IUPACmethyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C16H20O4/c1-19-14-6-4-3-5-13(14)15(17)11-7-9-12(10-8-11)16(18)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyADXRUGBFSQUVHM-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.86
Rot. Bonds4

About methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate

methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate (PubChem CID 67302137) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
PubChem CID67302137
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namemethyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)c2ccccc2OC)CC1
InChIInChI=1S/C16H20O4/c1-19-14-6-4-3-5-13(14)15(17)11-7-9-12(10-8-11)16(18)20-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyADXRUGBFSQUVHM-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate (CID 67302137) is methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)c2ccccc2OC)CC1.
What is the InChIKey of methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate?
The InChIKey is ADXRUGBFSQUVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-19-14-6-4-3-5-13(14)15(17)11-7-9-12(10-8-11)16(18)20-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate?
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 67302137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).