5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene

C16H16F2O — CID 123315633

IUPAC5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene
SMILESCCc1cc(F)c(F)c(-c2ccc(OC)cc2C)c1
InChIInChI=1S/C16H16F2O/c1-4-11-8-14(16(18)15(17)9-11)13-6-5-12(19-3)7-10(13)2/h5-9H,4H2,1-3H3
InChIKeyWNPFCRVKHIAWKA-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.51
Rot. Bonds3

About 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene

5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene (PubChem CID 123315633) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene.

Molecular Properties

Compound Name5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene
PubChem CID123315633
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene
SMILESCCc1cc(F)c(F)c(-c2ccc(OC)cc2C)c1
InChIInChI=1S/C16H16F2O/c1-4-11-8-14(16(18)15(17)9-11)13-6-5-12(19-3)7-10(13)2/h5-9H,4H2,1-3H3
InChIKeyWNPFCRVKHIAWKA-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-1,2-difluoro-3-(4-methoxy-2-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

4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
1-fluoro-4-methoxy-2-methylbenzene;methanamine
CID 142516240
N-[[2-fluoro-5-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033006
5-ethyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 19101283
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-(3,3-difluorocyclopropen-1-yl)-4-methoxy-2-methylbenzene
CID 125478600
3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole
CID 57314549
2-(4-methoxy-2-methylphenyl)-5-propylpyrimidine
CID 56711184
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene?
The IUPAC name of 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene (CID 123315633) is 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene.
What is the SMILES notation for 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene?
The canonical SMILES for 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene is CCc1cc(F)c(F)c(-c2ccc(OC)cc2C)c1.
What is the InChIKey of 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene?
The InChIKey is WNPFCRVKHIAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-4-11-8-14(16(18)15(17)9-11)13-6-5-12(19-3)7-10(13)2/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene?
5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene has a molecular weight of 262.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene is sourced from PubChem (CID 123315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).