(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone

C17H17FO2 — CID 104659409

IUPAC(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H17FO2/c1-3-10-20-16-7-5-4-6-15(16)17(19)14-9-8-13(18)11-12(14)2/h4-9,11H,3,10H2,1-2H3
InChIKeyCJEFAFBEVRWZBN-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.15
Rot. Bonds5

About (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone

(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone (PubChem CID 104659409) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
PubChem CID104659409
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H17FO2/c1-3-10-20-16-7-5-4-6-15(16)17(19)14-9-8-13(18)11-12(14)2/h4-9,11H,3,10H2,1-2H3
InChIKeyCJEFAFBEVRWZBN-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(3,6-dimethylpyridazin-4-yl)-(2-propoxyphenyl)methanone
CID 105128622
(2,6-dimethyl-3-pyridinyl)-(2-propoxyphenyl)methanone
CID 105128629
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone (CID 104659409) is (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone?
The InChIKey is CJEFAFBEVRWZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-10-20-16-7-5-4-6-15(16)17(19)14-9-8-13(18)11-12(14)2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone?
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone has a molecular weight of 272.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 104659409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).