1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene

C15H14F2O — CID 154591370

IUPAC1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)c(F)c1Oc1ccccc1
InChIInChI=1S/C15H14F2O/c1-10(2)12-8-9-13(16)14(17)15(12)18-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQXPNCHWTSXGCNB-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.88
Rot. Bonds3

About 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene

1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene (PubChem CID 154591370) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene
PubChem CID154591370
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)c(F)c1Oc1ccccc1
InChIInChI=1S/C15H14F2O/c1-10(2)12-8-9-13(16)14(17)15(12)18-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQXPNCHWTSXGCNB-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
1-fluoro-3-[(3-fluoro-2-phenoxyphenyl)disulfanyl]-2-phenoxybenzene
CID 87179437
1,2,3-trifluoro-5-(3-fluoro-4-propan-2-ylphenoxy)benzene
CID 177076510
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
3-phenoxy-1,5-di(propan-2-yl)isoquinoline
CID 153460769
tert-butyl N-[2-amino-1-(2,4-difluoro-3-phenoxyphenyl)ethyl]carbamate
CID 131741216
1-fluoro-4-phenyl-2-propan-2-ylbenzene
CID 134581183
2,3-difluoro-6-propan-2-ylbenzonitrile
CID 59589200
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
N-[1-(2,4-difluoro-3-phenoxyphenyl)-2-nitroethyl]-2-methylpropane-2-sulfinamide
CID 131741215

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene?
The IUPAC name of 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene (CID 154591370) is 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene is CC(C)c1ccc(F)c(F)c1Oc1ccccc1.
What is the InChIKey of 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene?
The InChIKey is QXPNCHWTSXGCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-10(2)12-8-9-13(16)14(17)15(12)18-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene?
1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene has a molecular weight of 248.27 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 1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 154591370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).