ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone

C20H23FO2 — CID 145400535

IUPACethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
SMILESCC.CC(=O)C1CC1c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FO2.C2H6/c1-12(20)17-10-18(17)14-4-8-16(9-5-14)21-11-13-2-6-15(19)7-3-13;1-2/h2-9,17-18H,10-11H2,1H3;1-2H3
InChIKeyQTGTVPHVNLFOAM-UHFFFAOYSA-N
MW314.40 g/mol
LogP5.12
Rot. Bonds5

About ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone

ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone (PubChem CID 145400535) has the molecular formula C20H23FO2 and a molecular weight of 314.40 g/mol. Its IUPAC name is ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
PubChem CID145400535
Molecular FormulaC20H23FO2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC Nameethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone
SMILESCC.CC(=O)C1CC1c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FO2.C2H6/c1-12(20)17-10-18(17)14-4-8-16(9-5-14)21-11-13-2-6-15(19)7-3-13;1-2/h2-9,17-18H,10-11H2,1H3;1-2H3
InChIKeyQTGTVPHVNLFOAM-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
2-(4-fluorophenyl)-N-[4-[4-(methoxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531756
1-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]ethanone
CID 39057983
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
(3S)-4-[4-(2-acetylcyclopropyl)phenyl]-3-methylbutan-2-one
CID 59123952
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
CID 54068292
2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone?
The IUPAC name of ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone (CID 145400535) is ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone.
What is the SMILES notation for ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone?
The canonical SMILES for ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone is CC.CC(=O)C1CC1c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone?
The InChIKey is QTGTVPHVNLFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2.C2H6/c1-12(20)17-10-18(17)14-4-8-16(9-5-14)21-11-13-2-6-15(19)7-3-13;1-2/h2-9,17-18H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone?
ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone has a molecular weight of 314.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[4-[(4-fluorophenyl)methoxy]phenyl]cyclopropyl]ethanone is sourced from PubChem (CID 145400535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).