ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate

C15H22O2 — CID 144672012

IUPACethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
SMILESCC.COC(=O)CC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16O2.C2H6/c1-10-3-5-11(6-4-10)13(7-8-13)9-12(14)15-2;1-2/h3-6H,7-9H2,1-2H3;1-2H3
InChIKeyIQELBMAEIIWLBP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.62
Rot. Bonds3

About ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate

ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate (PubChem CID 144672012) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
PubChem CID144672012
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
SMILESCC.COC(=O)CC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16O2.C2H6/c1-10-3-5-11(6-4-10)13(7-8-13)9-12(14)15-2;1-2/h3-6H,7-9H2,1-2H3;1-2H3
InChIKeyIQELBMAEIIWLBP-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate?
The IUPAC name of ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate (CID 144672012) is ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate?
The canonical SMILES for ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate is CC.COC(=O)CC1(c2ccc(C)cc2)CC1.
What is the InChIKey of ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate?
The InChIKey is IQELBMAEIIWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C2H6/c1-10-3-5-11(6-4-10)13(7-8-13)9-12(14)15-2;1-2/h3-6H,7-9H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate?
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate has a molecular weight of 234.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate is sourced from PubChem (CID 144672012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).