(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone

C17H17FO3 — CID 43337653

IUPAC(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccccc2F)cc1OCC
InChIInChI=1S/C17H17FO3/c1-3-20-15-10-9-12(11-16(15)21-4-2)17(19)13-7-5-6-8-14(13)18/h5-11H,3-4H2,1-2H3
InChIKeyGQEHUZYHVXPXKY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.85
Rot. Bonds6

About (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone

(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone (PubChem CID 43337653) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
PubChem CID43337653
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccccc2F)cc1OCC
InChIInChI=1S/C17H17FO3/c1-3-20-15-10-9-12(11-16(15)21-4-2)17(19)13-7-5-6-8-14(13)18/h5-11H,3-4H2,1-2H3
InChIKeyGQEHUZYHVXPXKY-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3,4-diethoxyphenyl)methanone
CID 135325793
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
1-(2-chlorophenyl)-2-(3,4-diethoxyphenyl)ethane-1,2-dione
CID 141186544
(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
CID 82073359
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662550
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
[2-(2-fluorophenyl)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 23884909
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone (CID 43337653) is (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone is CCOc1ccc(C(=O)c2ccccc2F)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone?
The InChIKey is GQEHUZYHVXPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-3-20-15-10-9-12(11-16(15)21-4-2)17(19)13-7-5-6-8-14(13)18/h5-11H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone?
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone has a molecular weight of 288.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 43337653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).