1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane

C18H21F3O — CID 142986183

IUPAC1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCCc1cc(Oc2ccccc2)ccc1C
InChIInChI=1S/C16H18O.C2H3F3/c1-3-7-14-12-16(11-10-13(14)2)17-15-8-5-4-6-9-15;1-2(3,4)5/h4-6,8-12H,3,7H2,1-2H3;1H3
InChIKeyBRZSIZOBNDSGQX-UHFFFAOYSA-N
MW310.36 g/mol
LogP6.31
Rot. Bonds4

About 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane

1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane (PubChem CID 142986183) has the molecular formula C18H21F3O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane.

Molecular Properties

Compound Name1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane
PubChem CID142986183
Molecular FormulaC18H21F3O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCCc1cc(Oc2ccccc2)ccc1C
InChIInChI=1S/C16H18O.C2H3F3/c1-3-7-14-12-16(11-10-13(14)2)17-15-8-5-4-6-9-15;1-2(3,4)5/h4-6,8-12H,3,7H2,1-2H3;1H3
InChIKeyBRZSIZOBNDSGQX-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-phenoxy-2-propylsulfonylbenzene
CID 71398768
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
CID 163937368
2-[[5-(3,4-dimethylphenoxy)-2-phenoxyphenyl]methyl]-3-methyl-1,4-diphenoxybenzene
CID 139562283
1-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937321
N-butyl-4-phenoxyaniline
CID 4712110
4-methyl-N,N-diphenyl-3-propylaniline
CID 141411343
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
CID 170268037
1-bromo-2-pentadecyl-4-phenoxybenzene
CID 59297150
ethane;2-(2-methylpropyl)-5-phenoxyphenol;5-phenoxy-2-propylphenol
CID 142817713
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
4-phenoxy-2-(propylaminomethyl)aniline
CID 91807897

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane?
The IUPAC name of 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane (CID 142986183) is 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane.
What is the SMILES notation for 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane?
The canonical SMILES for 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane is CC(F)(F)F.CCCc1cc(Oc2ccccc2)ccc1C.
What is the InChIKey of 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane?
The InChIKey is BRZSIZOBNDSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C2H3F3/c1-3-7-14-12-16(11-10-13(14)2)17-15-8-5-4-6-9-15;1-2(3,4)5/h4-6,8-12H,3,7H2,1-2H3;1H3.
What are the key properties of 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane?
1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane has a molecular weight of 310.36 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxy-2-propylbenzene;1,1,1-trifluoroethane is sourced from PubChem (CID 142986183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).