1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane

C16H18F2O — CID 142106571

IUPAC1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
SMILESCC.Cc1c(F)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C14H12F2O.C2H6/c1-10-13(15)7-12(8-14(10)16)17-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyHAOFRDKVNHXXEC-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.88
Rot. Bonds3

About 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane

1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane (PubChem CID 142106571) has the molecular formula C16H18F2O and a molecular weight of 264.31 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane.

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
PubChem CID142106571
Molecular FormulaC16H18F2O
Molecular Weight264.31 g/mol
Exact Mass264.13
IUPAC Name1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
SMILESCC.Cc1c(F)cc(OCc2ccccc2)cc1F
InChIInChI=1S/C14H12F2O.C2H6/c1-10-13(15)7-12(8-14(10)16)17-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyHAOFRDKVNHXXEC-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
1,3-difluoro-2-methyl-5-(3-phenylpropoxy)benzene
CID 59931437
2-(2,6-difluoro-4-phenylmethoxyphenyl)ethanol
CID 134414342
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane?
The IUPAC name of 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane (CID 142106571) is 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane.
What is the SMILES notation for 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane?
The canonical SMILES for 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane is CC.Cc1c(F)cc(OCc2ccccc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane?
The InChIKey is HAOFRDKVNHXXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O.C2H6/c1-10-13(15)7-12(8-14(10)16)17-9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane?
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane has a molecular weight of 264.31 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane is sourced from PubChem (CID 142106571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).