(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone

C17H15FO — CID 55181920

IUPAC(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C17H15FO/c1-12-7-8-15(18)14(11-12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyXBVMPUXTERLGIZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP4.05
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone

(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone (PubChem CID 55181920) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
PubChem CID55181920
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone
SMILESCc1ccc(F)c(C(=O)C2(c3ccccc3)CC2)c1
InChIInChI=1S/C17H15FO/c1-12-7-8-15(18)14(11-12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyXBVMPUXTERLGIZ-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-aminophenyl)cyclopropyl]-(2-fluoro-5-methylphenyl)methanone
CID 116611701
(2,5-dimethylfuran-3-yl)-(1-phenylcyclopropyl)methanone
CID 62879168
(3-bromo-4-fluorophenyl)-(1-phenylcyclopropyl)methanone
CID 79735854
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanone
CID 107128300
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
N-(2-fluoro-5-methylphenyl)-6-oxo-3-phenylpiperidine-3-carboxamide
CID 122134413
(1-methylindol-3-yl)-(1-phenylcyclopropyl)methanone
CID 62877077
(2-ethylpyrrolidin-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116608135
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
(2,5-dichlorothiophen-3-yl)-(1-phenylcyclopropyl)methanone
CID 55129258

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone (CID 55181920) is (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone is Cc1ccc(F)c(C(=O)C2(c3ccccc3)CC2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone?
The InChIKey is XBVMPUXTERLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO/c1-12-7-8-15(18)14(11-12)16(19)17(9-10-17)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone?
(2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone has a molecular weight of 254.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 55181920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).