2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol

C16H16F2O2 — CID 63269926

IUPAC2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16,19H,1-2H3
InChIKeyHUYPCUXYKQFBCJ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.77
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol

2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol (PubChem CID 63269926) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol
PubChem CID63269926
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)Oc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16,19H,1-2H3
InChIKeyHUYPCUXYKQFBCJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenoxy)-1-phenylpropan-1-ol
CID 102983363
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)propan-1-ol
CID 63935953
2-(2,5-difluorophenoxy)propanamide
CID 63269491
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572
2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol (CID 63269926) is 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)Oc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is HUYPCUXYKQFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-3-5-12(6-4-10)16(19)11(2)20-15-9-13(17)7-8-14(15)18/h3-9,11,16,19H,1-2H3.
What are the key properties of 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol?
2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 63269926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).