1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol

C17H18F2O2 — CID 114980286

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C17H18F2O2/c1-11-6-12(2)8-13(7-11)9-16(20)14-4-3-5-15(10-14)21-17(18)19/h3-8,10,16-17,20H,9H2,1-2H3
InChIKeyYWJRRQFBIKOZAC-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.18
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol

1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol (PubChem CID 114980286) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
PubChem CID114980286
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C17H18F2O2/c1-11-6-12(2)8-13(7-11)9-16(20)14-4-3-5-15(10-14)21-17(18)19/h3-8,10,16-17,20H,9H2,1-2H3
InChIKeyYWJRRQFBIKOZAC-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
2-(2,3-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 107312488
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol (CID 114980286) is 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(CC(O)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is YWJRRQFBIKOZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11-6-12(2)8-13(7-11)9-16(20)14-4-3-5-15(10-14)21-17(18)19/h3-8,10,16-17,20H,9H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol?
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 292.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 114980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).