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

C17H17FO2 — CID 63409331

IUPAC(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C17H17FO2/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11H,3,10H2,1-2H3
InChIKeyQNUIJPKAHYFKPY-UHFFFAOYSA-N
MW272.32 g/mol
LogP4.15
Rot. Bonds5

About (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone

(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone (PubChem CID 63409331) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
PubChem CID63409331
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C17H17FO2/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11H,3,10H2,1-2H3
InChIKeyQNUIJPKAHYFKPY-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

(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2-methyl-3-pyridinyl)-(4-propoxyphenyl)methanone
CID 105097019
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
2-methyl-4-propoxybenzoyl chloride
CID 82631959
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone (CID 63409331) is (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2cc(F)ccc2C)cc1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone?
The InChIKey is QNUIJPKAHYFKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone?
(5-fluoro-2-methylphenyl)-(4-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 (5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 63409331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).