methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate

C16H22O3 — CID 67159282

IUPACmethyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(C2CCC(OC)CC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-10-13(6-9-15(11)16(17)19-3)12-4-7-14(18-2)8-5-12/h6,9-10,12,14H,4-5,7-8H2,1-3H3
InChIKeyUIIZUGHSVOXTPR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds3

About methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate

methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate (PubChem CID 67159282) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
PubChem CID67159282
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 4-(4-methoxycyclohexyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(C2CCC(OC)CC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-10-13(6-9-15(11)16(17)19-3)12-4-7-14(18-2)8-5-12/h6,9-10,12,14H,4-5,7-8H2,1-3H3
InChIKeyUIIZUGHSVOXTPR-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
methyl 4-(4,4-dimethylcyclohexyl)-2-methylbenzoate
CID 154726562
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
methyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylbenzoate
CID 67159662
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 4-cyclopropyl-2-propan-2-yloxybenzoate
CID 90423653
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 2-methyl-4-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]benzoate
CID 59020674
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
methyl 4-[(5E)-4-chloro-3-formyl-5-(hydroxymethylidene)cyclohex-3-en-1-yl]-2-methylbenzoate
CID 141491524
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate?
The IUPAC name of methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate (CID 67159282) is methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate is COC(=O)c1ccc(C2CCC(OC)CC2)cc1C.
What is the InChIKey of methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate?
The InChIKey is UIIZUGHSVOXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-10-13(6-9-15(11)16(17)19-3)12-4-7-14(18-2)8-5-12/h6,9-10,12,14H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate?
methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate has a molecular weight of 262.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxycyclohexyl)-2-methylbenzoate is sourced from PubChem (CID 67159282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).