2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol

C16H16F2O2 — CID 59930214

IUPAC2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-11(10-19)12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-16(17)18/h2-9,11,16,19H,10H2,1H3
InChIKeyYKUBOHFESBXKNX-UHFFFAOYSA-N
MW278.30 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol

2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol (PubChem CID 59930214) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol
PubChem CID59930214
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol
SMILESCC(CO)c1ccc(-c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-11(10-19)12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-16(17)18/h2-9,11,16,19H,10H2,1H3
InChIKeyYKUBOHFESBXKNX-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
(2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid
CID 13118566
2-(4-iodophenyl)propan-1-ol
CID 118041609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol (CID 59930214) is 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol is CC(CO)c1ccc(-c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol?
The InChIKey is YKUBOHFESBXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-11(10-19)12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-16(17)18/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol?
2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 59930214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).