(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone

C18H17FO — CID 106876685

IUPAC(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H17FO/c1-11-8-14(19)9-12(2)17(11)18(20)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3
InChIKeyYCJYVQHLPHHSBQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.43
Rot. Bonds3

About (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone

(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone (PubChem CID 106876685) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
PubChem CID106876685
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1CC1c1ccccc1
InChIInChI=1S/C18H17FO/c1-11-8-14(19)9-12(2)17(11)18(20)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3
InChIKeyYCJYVQHLPHHSBQ-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2,6-dimethylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106877091
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
CID 105134802
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
5-(2-phenylcyclopropanecarbonyl)furan-2-carboxylic acid
CID 106946658
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone (CID 106876685) is (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone is Cc1cc(F)cc(C)c1C(=O)C1CC1c1ccccc1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is YCJYVQHLPHHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-11-8-14(19)9-12(2)17(11)18(20)16-10-15(16)13-6-4-3-5-7-13/h3-9,15-16H,10H2,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone?
(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 268.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 106876685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).