1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone

C14H18O2 — CID 43828941

IUPAC1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
SMILESCCCOc1ccccc1C1C[C@@H]1C(C)=O
InChIInChI=1S/C14H18O2/c1-3-8-16-14-7-5-4-6-11(14)13-9-12(13)10(2)15/h4-7,12-13H,3,8-9H2,1-2H3/t12-,13?/m1/s1
InChIKeyKCIZQEIBVOFHLG-PZORYLMUSA-N
MW218.30 g/mol
LogP3.17
Rot. Bonds5

About 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone

1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone (PubChem CID 43828941) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
PubChem CID43828941
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
SMILESCCCOc1ccccc1C1C[C@@H]1C(C)=O
InChIInChI=1S/C14H18O2/c1-3-8-16-14-7-5-4-6-11(14)13-9-12(13)10(2)15/h4-7,12-13H,3,8-9H2,1-2H3/t12-,13?/m1/s1
InChIKeyKCIZQEIBVOFHLG-PZORYLMUSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
(5S,6R)-5-acetyl-4-methylidene-6-(2-propoxyphenyl)-1,3-diazinan-2-one
CID 2169550
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798
4-ethyl-2-(2-propoxyphenyl)piperidine
CID 104662519
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
9-(2-propoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 3149383
1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
CID 130847822
1-bromo-3-(2-propoxyphenyl)cycloheptane
CID 104662860

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone (CID 43828941) is 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone is CCCOc1ccccc1C1C[C@@H]1C(C)=O.
What is the InChIKey of 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone?
The InChIKey is KCIZQEIBVOFHLG-PZORYLMUSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-8-16-14-7-5-4-6-11(14)13-9-12(13)10(2)15/h4-7,12-13H,3,8-9H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of 1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone?
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone has a molecular weight of 218.30 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-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone is sourced from PubChem (CID 43828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).