1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol

C16H16F2O2 — CID 63017552

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H16F2O2/c1-11-5-4-6-12(9-11)10-14(19)13-7-2-3-8-15(13)20-16(17)18/h2-9,14,16,19H,10H2,1H3
InChIKeyQAHUXMUWCIOKTN-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol

1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol (PubChem CID 63017552) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
PubChem CID63017552
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H16F2O2/c1-11-5-4-6-12(9-11)10-14(19)13-7-2-3-8-15(13)20-16(17)18/h2-9,14,16,19H,10H2,1H3
InChIKeyQAHUXMUWCIOKTN-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

1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511
1-[2-(2-methoxyethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 104659510
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanamine
CID 115790299
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
CID 61081501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol (CID 63017552) is 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccccc2OC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol?
The InChIKey is QAHUXMUWCIOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-11-5-4-6-12(9-11)10-14(19)13-7-2-3-8-15(13)20-16(17)18/h2-9,14,16,19H,10H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol?
1-[2-(difluoromethoxy)phenyl]-2-(3-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-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 63017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).