1-methoxy-3-(2-phenylcyclopropyl)propan-2-one

C13H16O2 — CID 161462275

IUPAC1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
SMILESCOCC(=O)CC1CC1c1ccccc1
InChIInChI=1S/C13H16O2/c1-15-9-12(14)7-11-8-13(11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyGHBGMSUTNQWEBX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.40
Rot. Bonds5

About 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one

1-methoxy-3-(2-phenylcyclopropyl)propan-2-one (PubChem CID 161462275) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
PubChem CID161462275
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
SMILESCOCC(=O)CC1CC1c1ccccc1
InChIInChI=1S/C13H16O2/c1-15-9-12(14)7-11-8-13(11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKeyGHBGMSUTNQWEBX-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
1-(2-phenylcyclopropyl)pentan-3-one
CID 116518251
N-(3,5-dimethoxyphenyl)-N-methyl-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
CID 126798924
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
[methoxycarbonyl-[[(1S,2S)-2-phenylcyclopropyl]methyl]amino] methyl carbonate
CID 10423720
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one?
The IUPAC name of 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one (CID 161462275) is 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one is COCC(=O)CC1CC1c1ccccc1.
What is the InChIKey of 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one?
The InChIKey is GHBGMSUTNQWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-9-12(14)7-11-8-13(11)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3.
What are the key properties of 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one?
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-phenylcyclopropyl)propan-2-one is sourced from PubChem (CID 161462275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).