2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol

C16H16F2O2 — CID 63273431

IUPAC2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O2/c1-16(19,12-7-13(17)9-14(18)8-12)10-11-3-5-15(20-2)6-4-11/h3-9,19H,10H2,1-2H3
InChIKeyKPUSRSIMIMQHHC-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.42
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol

2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 63273431) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID63273431
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H16F2O2/c1-16(19,12-7-13(17)9-14(18)8-12)10-11-3-5-15(20-2)6-4-11/h3-9,19H,10H2,1-2H3
InChIKeyKPUSRSIMIMQHHC-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833150
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)propan-2-ol
CID 103039094
2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 81436881
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol (CID 63273431) is 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is KPUSRSIMIMQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-16(19,12-7-13(17)9-14(18)8-12)10-11-3-5-15(20-2)6-4-11/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol?
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 63273431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).