[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate

C18H24O4 — CID 59950478

IUPAC[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
SMILESCOCC1CCC(COC(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C18H24O4/c1-13(19)16-7-9-17(10-8-16)18(20)22-12-15-5-3-14(4-6-15)11-21-2/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyUGMJLJRVDPWGGU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.50
Rot. Bonds6

About [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate

[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate (PubChem CID 59950478) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate.

Molecular Properties

Compound Name[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
PubChem CID59950478
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
SMILESCOCC1CCC(COC(=O)c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C18H24O4/c1-13(19)16-7-9-17(10-8-16)18(20)22-12-15-5-3-14(4-6-15)11-21-2/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyUGMJLJRVDPWGGU-UHFFFAOYSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methoxymethyl 4-acetylbenzoate;[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate
CID 160989443
[4-(methoxymethyl)cyclohexyl]methyl 4-(2-methylpropanoyl)benzoate
CID 144946673
5-acetyl-2-[[4-(methoxymethyl)cyclohexyl]methoxycarbonyl]benzenesulfonic acid
CID 59950481
[4-[(4-fluorobenzoyl)oxymethyl]cyclohexyl]methyl 4-fluorobenzoate
CID 59172643
4-O-[2-[4-[(4-ethylcyclohexyl)methoxycarbonyl]benzoyl]oxyethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 54349547
1-O-(cyclopropylmethyl) 4-O-(oxiran-2-ylmethyl) benzene-1,4-dicarboxylate
CID 165037317
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
[4-(hydroxymethyl)cyclohexyl]methyl 4-(2,2-dimethylpropanoyl)benzoate
CID 170233398
[4-(naphthalene-2-carbonyloxymethyl)cyclohexyl]methyl naphthalene-2-carboxylate
CID 59172646
bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate?
The IUPAC name of [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate (CID 59950478) is [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate.
What is the SMILES notation for [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate?
The canonical SMILES for [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate is COCC1CCC(COC(=O)c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate?
The InChIKey is UGMJLJRVDPWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-13(19)16-7-9-17(10-8-16)18(20)22-12-15-5-3-14(4-6-15)11-21-2/h7-10,14-15H,3-6,11-12H2,1-2H3.
What are the key properties of [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate?
[4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate has a molecular weight of 304.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)cyclohexyl]methyl 4-acetylbenzoate is sourced from PubChem (CID 59950478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).