(1-methylcyclopropyl) benzoate

C11H12O2 — CID 14416714

IUPAC(1-methylcyclopropyl) benzoate
SMILESCC1(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C11H12O2/c1-11(7-8-11)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyGRIOVNKAIYROPL-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.40
Rot. Bonds2

About (1-methylcyclopropyl) benzoate

(1-methylcyclopropyl) benzoate (PubChem CID 14416714) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1-methylcyclopropyl) benzoate.

Molecular Properties

Compound Name(1-methylcyclopropyl) benzoate
PubChem CID14416714
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(1-methylcyclopropyl) benzoate
SMILESCC1(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C11H12O2/c1-11(7-8-11)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyGRIOVNKAIYROPL-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclohex-3-en-1-yl) benzoate
CID 134859069
1-benzoyloxycyclopropane-1-carboxylic acid
CID 170565634
(1-methylcyclopropyl)methyl benzoate
CID 10465127
(2,2-dibromo-1-methylcyclopropyl) benzoate
CID 134894705
(1-phenacylcyclopropyl) benzoate
CID 10660387
(2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-yl) benzoate
CID 70476402
(1,2-dimethylcyclohexyl) benzoate
CID 67593313
bis(3-methyloxetan-3-yl) benzene-1,4-dicarboxylate
CID 100920203
[1-(methylamino)cyclopropyl]methyl benzoate
CID 155255956
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
(1-methylcyclohexyl)oxy benzenecarboperoxoate
CID 88511875
(4-benzoyloxydithiolan-4-yl) benzoate
CID 10291296

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) benzoate?
The IUPAC name of (1-methylcyclopropyl) benzoate (CID 14416714) is (1-methylcyclopropyl) benzoate.
What is the SMILES notation for (1-methylcyclopropyl) benzoate?
The canonical SMILES for (1-methylcyclopropyl) benzoate is CC1(OC(=O)c2ccccc2)CC1.
What is the InChIKey of (1-methylcyclopropyl) benzoate?
The InChIKey is GRIOVNKAIYROPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-11(7-8-11)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of (1-methylcyclopropyl) benzoate?
(1-methylcyclopropyl) benzoate has a molecular weight of 176.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) benzoate is sourced from PubChem (CID 14416714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).