methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate

C17H24O2 — CID 82245972

IUPACmethyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
SMILESCOC(=O)CC1CCCCCC1c1cccc(C)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-9-14(11-13)16-10-5-3-4-8-15(16)12-17(18)19-2/h6-7,9,11,15-16H,3-5,8,10,12H2,1-2H3
InChIKeySQYJRVKCUCISOD-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.22
Rot. Bonds3

About methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate

methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate (PubChem CID 82245972) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
PubChem CID82245972
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
SMILESCOC(=O)CC1CCCCCC1c1cccc(C)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-9-14(11-13)16-10-5-3-4-8-15(16)12-17(18)19-2/h6-7,9,11,15-16H,3-5,8,10,12H2,1-2H3
InChIKeySQYJRVKCUCISOD-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
methyl 2-(2-pyridin-3-ylcycloheptyl)acetate
CID 82244502
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
2-[2-(3-methylphenyl)cycloheptyl]acetonitrile
CID 82242576
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
CID 135074214
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate?
The IUPAC name of methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate (CID 82245972) is methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate.
What is the SMILES notation for methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate?
The canonical SMILES for methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate is COC(=O)CC1CCCCCC1c1cccc(C)c1.
What is the InChIKey of methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate?
The InChIKey is SQYJRVKCUCISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-7-6-9-14(11-13)16-10-5-3-4-8-15(16)12-17(18)19-2/h6-7,9,11,15-16H,3-5,8,10,12H2,1-2H3.
What are the key properties of methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate?
methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate has a molecular weight of 260.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate is sourced from PubChem (CID 82245972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).