methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate

C16H22O3 — CID 86221332

IUPACmethyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)cc(C2CCCCC2)c1
InChIInChI=1S/C16H22O3/c1-18-15-9-12(10-16(17)19-2)8-14(11-15)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyMICANELFDITFQV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds4

About methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate

methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate (PubChem CID 86221332) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate
PubChem CID86221332
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(OC)cc(C2CCCCC2)c1
InChIInChI=1S/C16H22O3/c1-18-15-9-12(10-16(17)19-2)8-14(11-15)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyMICANELFDITFQV-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
methyl 2-(3-bromo-5-methoxy-2-methylphenyl)acetate
CID 154729409
methyl 2-[3,5-bis(bromomethyl)phenyl]acetate
CID 89250496
methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
CID 23346484
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate (CID 86221332) is methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate is COC(=O)Cc1cc(OC)cc(C2CCCCC2)c1.
What is the InChIKey of methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate?
The InChIKey is MICANELFDITFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-15-9-12(10-16(17)19-2)8-14(11-15)13-6-4-3-5-7-13/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate?
methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate has a molecular weight of 262.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate is sourced from PubChem (CID 86221332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).