2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene

C16H16F2O — CID 174531278

IUPAC2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene
SMILESCCOc1ccc(-c2cccc(C)c2)c(C(F)F)c1
InChIInChI=1S/C16H16F2O/c1-3-19-13-7-8-14(15(10-13)16(17)18)12-6-4-5-11(2)9-12/h4-10,16H,3H2,1-2H3
InChIKeyNJYGYNWQTPPKIW-UHFFFAOYSA-N
MW262.30 g/mol
LogP5.00
Rot. Bonds4

About 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene

2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene (PubChem CID 174531278) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene.

Molecular Properties

Compound Name2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene
PubChem CID174531278
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene
SMILESCCOc1ccc(-c2cccc(C)c2)c(C(F)F)c1
InChIInChI=1S/C16H16F2O/c1-3-19-13-7-8-14(15(10-13)16(17)18)12-6-4-5-11(2)9-12/h4-10,16H,3H2,1-2H3
InChIKeyNJYGYNWQTPPKIW-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-2-(3-methylphenyl)benzene
CID 123429256
1-(2-chlorophenyl)-2-(difluoromethyl)-4-ethoxybenzene
CID 141265630
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
[2-(difluoromethyl)-4-ethoxyphenyl]hydrazine
CID 118809032
2-(3-ethoxyphenyl)aniline
CID 57482711
2,4-diethoxy-1-phenylbenzene
CID 132889855
2-(difluoromethyl)-3-(3-methylphenyl)pyridine
CID 178100787
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
4-tert-butyl-2-(3-ethoxyphenyl)-1-fluorobenzene
CID 58049401
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
1-(4-ethoxyphenyl)-4-(3-methylphenyl)pyrazole
CID 107958440

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene?
The IUPAC name of 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene (CID 174531278) is 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene.
What is the SMILES notation for 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene?
The canonical SMILES for 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene is CCOc1ccc(-c2cccc(C)c2)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene?
The InChIKey is NJYGYNWQTPPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-3-19-13-7-8-14(15(10-13)16(17)18)12-6-4-5-11(2)9-12/h4-10,16H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene?
2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene has a molecular weight of 262.30 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-ethoxy-1-(3-methylphenyl)benzene is sourced from PubChem (CID 174531278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).