methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate

C21H24O3 — CID 925837

IUPACmethyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O3/c1-23-21(22)19-9-7-16(8-10-19)15-24-20-13-11-18(12-14-20)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyDHJRZEZBJKKPLT-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.10
Rot. Bonds5

About methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate

methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate (PubChem CID 925837) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
PubChem CID925837
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Namemethyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H24O3/c1-23-21(22)19-9-7-16(8-10-19)15-24-20-13-11-18(12-14-20)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3
InChIKeyDHJRZEZBJKKPLT-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
(4-cyclohexylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126185466
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-[[2-amino-1-(4-cyclohexylphenyl)ethoxy]methyl]benzoate
CID 10595141
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
methyl 4-[(4-cyclohexylanilino)methyl]benzoate;methyl 4-formylbenzoate
CID 87417840
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate (CID 925837) is methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate is COC(=O)c1ccc(COc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate?
The InChIKey is DHJRZEZBJKKPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-23-21(22)19-9-7-16(8-10-19)15-24-20-13-11-18(12-14-20)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3.
What are the key properties of methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate?
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate has a molecular weight of 324.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate is sourced from PubChem (CID 925837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).