(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone

C18H17FO — CID 107128300

IUPAC(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
SMILESCc1ccc(C(=O)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C18H17FO/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyMMBZQKUOWVXSSV-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.44
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone

(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone (PubChem CID 107128300) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
PubChem CID107128300
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
SMILESCc1ccc(C(=O)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C18H17FO/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3
InChIKeyMMBZQKUOWVXSSV-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
CID 79735854
(4-ethylphenyl)-(1-phenylcyclopentyl)methanone
CID 63410201
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
CID 55181920
1-adamantyl-(3-fluoro-4-methylphenyl)methanone
CID 107128298
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
(4-ethylphenyl)-(1-phenylcyclopropyl)methanone
CID 62879139
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone (CID 107128300) is (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone is Cc1ccc(C(=O)C2(c3ccccc3)CCC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone?
The InChIKey is MMBZQKUOWVXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone?
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone has a molecular weight of 268.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 107128300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).