2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone

C18H17FO — CID 114347208

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H17FO/c1-13-11-16(19)8-7-14(13)12-17(20)18(9-10-18)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyXTHVRSRFVMRCLI-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone (PubChem CID 114347208) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
PubChem CID114347208
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H17FO/c1-13-11-16(19)8-7-14(13)12-17(20)18(9-10-18)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeyXTHVRSRFVMRCLI-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387
1-[1-(dimethylamino)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347290
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1-[1-(dimethylamino)cycloheptyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347296
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 115983494
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 114347866
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350504
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone (CID 114347208) is 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone is Cc1cc(F)ccc1CC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone?
The InChIKey is XTHVRSRFVMRCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-13-11-16(19)8-7-14(13)12-17(20)18(9-10-18)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone has a molecular weight of 268.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone is sourced from PubChem (CID 114347208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).