1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol

C15H12F4O2 — CID 63893268

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F4O2/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15,20H,8H2
InChIKeyQCTTZSANTNFJAF-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol (PubChem CID 63893268) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
PubChem CID63893268
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)ccc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F4O2/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15,20H,8H2
InChIKeyQCTTZSANTNFJAF-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
2-(5-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanol
CID 103053453
1-[3-(difluoromethyl)phenyl]-2-(2,5-difluorophenyl)ethanol
CID 115527686
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
1-[4-(difluoromethoxy)phenyl]-N-[(2,5-difluorophenyl)methyl]methanamine
CID 43312744
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
1-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol (CID 63893268) is 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol is OC(Cc1cc(F)ccc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol?
The InChIKey is QCTTZSANTNFJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c16-11-3-6-13(17)10(7-11)8-14(20)9-1-4-12(5-2-9)21-15(18)19/h1-7,14-15,20H,8H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol has a molecular weight of 300.25 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 63893268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).