methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate

C13H16O2 — CID 116929872

IUPACmethyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(C)c2)CC1
InChIInChI=1S/C13H16O2/c1-10-4-3-5-11(8-10)9-13(6-7-13)12(14)15-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyREXUFIKRSBJGMB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.49
Rot. Bonds3

About methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116929872) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116929872
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cc2cccc(C)c2)CC1
InChIInChI=1S/C13H16O2/c1-10-4-3-5-11(8-10)9-13(6-7-13)12(14)15-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyREXUFIKRSBJGMB-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-[(3-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 131709908
methyl 1-[[3-(1-methyltetrazol-5-yl)phenyl]methyl]cyclobutane-1-carboxylate
CID 23384154
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
4-methyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65393242
3-[(3-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63141083
2-[(3-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65407765
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
tert-butyl 1-[[3-(benzylamino)phenyl]methyl]cyclopropane-1-carboxylate
CID 58136299
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
methyl 1-[1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate
CID 70203845
N-(1,3-dimethylpiperidin-4-yl)-1-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 169209438

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate (CID 116929872) is methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cc2cccc(C)c2)CC1.
What is the InChIKey of methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is REXUFIKRSBJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10-4-3-5-11(8-10)9-13(6-7-13)12(14)15-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-methylphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116929872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).