1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone

C15H20O2 — CID 95448950

IUPAC1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
SMILESCCc1ccc(OC)c(CC2(C(C)=O)CC2)c1
InChIInChI=1S/C15H20O2/c1-4-12-5-6-14(17-3)13(9-12)10-15(7-8-15)11(2)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyUOAXWIPSBHXDSC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.17
Rot. Bonds5

About 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone

1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone (PubChem CID 95448950) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
PubChem CID95448950
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
SMILESCCc1ccc(OC)c(CC2(C(C)=O)CC2)c1
InChIInChI=1S/C15H20O2/c1-4-12-5-6-14(17-3)13(9-12)10-15(7-8-15)11(2)16/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyUOAXWIPSBHXDSC-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
CID 95450370
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone (CID 95448950) is 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone is CCc1ccc(OC)c(CC2(C(C)=O)CC2)c1.
What is the InChIKey of 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone?
The InChIKey is UOAXWIPSBHXDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-12-5-6-14(17-3)13(9-12)10-15(7-8-15)11(2)16/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone?
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 95448950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).