[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate

C17H24O4 — CID 139651935

IUPAC[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate
SMILESCOCC1CCC(COc2ccc(OC(C)=O)cc2)CC1
InChIInChI=1S/C17H24O4/c1-13(18)21-17-9-7-16(8-10-17)20-12-15-5-3-14(4-6-15)11-19-2/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyCMLYDCRIHMCRLV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.44
Rot. Bonds6

About [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate

[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate (PubChem CID 139651935) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate.

Molecular Properties

Compound Name[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate
PubChem CID139651935
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate
SMILESCOCC1CCC(COc2ccc(OC(C)=O)cc2)CC1
InChIInChI=1S/C17H24O4/c1-13(18)21-17-9-7-16(8-10-17)20-12-15-5-3-14(4-6-15)11-19-2/h7-10,14-15H,3-6,11-12H2,1-2H3
InChIKeyCMLYDCRIHMCRLV-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
CID 68983653
[4-[(4-ethylcyclohexyl)methoxy]phenyl] 4-(2-acetyloxyethoxy)benzoate
CID 23516353
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[4-(cyclopropylmethoxy)phenyl] 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 86812829
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
(4-hydroxyphenyl) 4-[(4-hydroxycyclohexyl)methoxy]benzoate
CID 89467653
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate?
The IUPAC name of [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate (CID 139651935) is [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate.
What is the SMILES notation for [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate?
The canonical SMILES for [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate is COCC1CCC(COc2ccc(OC(C)=O)cc2)CC1.
What is the InChIKey of [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate?
The InChIKey is CMLYDCRIHMCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-13(18)21-17-9-7-16(8-10-17)20-12-15-5-3-14(4-6-15)11-19-2/h7-10,14-15H,3-6,11-12H2,1-2H3.
What are the key properties of [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate?
[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate has a molecular weight of 292.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate is sourced from PubChem (CID 139651935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).