methyl 2-(4-cycloheptylphenyl)acetate

C16H22O2 — CID 54417181

IUPACmethyl 2-(4-cycloheptylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-16(17)12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3
InChIKeyVYGMACXAHQGTPK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.84
Rot. Bonds3

About methyl 2-(4-cycloheptylphenyl)acetate

methyl 2-(4-cycloheptylphenyl)acetate (PubChem CID 54417181) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 2-(4-cycloheptylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cycloheptylphenyl)acetate
PubChem CID54417181
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-(4-cycloheptylphenyl)acetate
SMILESCOC(=O)Cc1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-16(17)12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3
InChIKeyVYGMACXAHQGTPK-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
methyl 5-(4-cyclobutylphenyl)-4-oxopentanoate
CID 116506694
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
methyl 2-(3-cyclohexyl-5-methoxyphenyl)acetate
CID 86221332
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cycloheptylphenyl)acetate?
The IUPAC name of methyl 2-(4-cycloheptylphenyl)acetate (CID 54417181) is methyl 2-(4-cycloheptylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-cycloheptylphenyl)acetate?
The canonical SMILES for methyl 2-(4-cycloheptylphenyl)acetate is COC(=O)Cc1ccc(C2CCCCCC2)cc1.
What is the InChIKey of methyl 2-(4-cycloheptylphenyl)acetate?
The InChIKey is VYGMACXAHQGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-16(17)12-13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3.
What are the key properties of methyl 2-(4-cycloheptylphenyl)acetate?
methyl 2-(4-cycloheptylphenyl)acetate has a molecular weight of 246.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cycloheptylphenyl)acetate is sourced from PubChem (CID 54417181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).