1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol

C16H16F2O2 — CID 63017905

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-11-2-4-12(5-3-11)10-15(19)13-6-8-14(9-7-13)20-16(17)18/h2-9,15-16,19H,10H2,1H3
InChIKeyIABOGSNFYDMGEU-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol (PubChem CID 63017905) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
PubChem CID63017905
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H16F2O2/c1-11-2-4-12(5-3-11)10-15(19)13-6-8-14(9-7-13)20-16(17)18/h2-9,15-16,19H,10H2,1H3
InChIKeyIABOGSNFYDMGEU-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
1-(4-iodophenyl)-2-(4-methylphenyl)ethanol
CID 63017730
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
[4-(difluoromethoxy)phenyl]-(2,4-dimethylphenyl)methanol
CID 61100942
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
CID 55151573
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol (CID 63017905) is 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol?
The InChIKey is IABOGSNFYDMGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-11-2-4-12(5-3-11)10-15(19)13-6-8-14(9-7-13)20-16(17)18/h2-9,15-16,19H,10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.87, 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-(4-methylphenyl)ethanol is sourced from PubChem (CID 63017905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).