1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene

C16H16F2O — CID 144676996

IUPAC1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene
SMILESCCCc1ccc(Oc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C16H16F2O/c1-3-5-12-8-9-15(11(2)10-12)19-16-13(17)6-4-7-14(16)18/h4,6-10H,3,5H2,1-2H3
InChIKeyWSDMCDQUHGANIW-UHFFFAOYSA-N
MW262.30 g/mol
LogP5.02
Rot. Bonds4

About 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene

1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene (PubChem CID 144676996) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene
PubChem CID144676996
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene
SMILESCCCc1ccc(Oc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C16H16F2O/c1-3-5-12-8-9-15(11(2)10-12)19-16-13(17)6-4-7-14(16)18/h4,6-10H,3,5H2,1-2H3
InChIKeyWSDMCDQUHGANIW-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.30
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-7-propylphenanthrene
CID 141032936
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020
1-(4-bromobutoxy)-2-methyl-4-propylbenzene
CID 22367705
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene?
The IUPAC name of 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene (CID 144676996) is 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene.
What is the SMILES notation for 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene?
The canonical SMILES for 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene is CCCc1ccc(Oc2c(F)cccc2F)c(C)c1.
What is the InChIKey of 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene?
The InChIKey is WSDMCDQUHGANIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-3-5-12-8-9-15(11(2)10-12)19-16-13(17)6-4-7-14(16)18/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene?
1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene has a molecular weight of 262.30 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(2-methyl-4-propylphenoxy)benzene is sourced from PubChem (CID 144676996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).