2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol

C15H16FNO — CID 114981178

IUPAC2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cncc(F)c2)c1
InChIInChI=1S/C15H16FNO/c1-10-3-4-11(2)12(5-10)7-15(18)13-6-14(16)9-17-8-13/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyCZVPYRXFDVRPMZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.11
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol

2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 114981178) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID114981178
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cncc(F)c2)c1
InChIInChI=1S/C15H16FNO/c1-10-3-4-11(2)12(5-10)7-15(18)13-6-14(16)9-17-8-13/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyCZVPYRXFDVRPMZ-UHFFFAOYSA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
2-(2,5-difluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105081046
2-(2,5-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114938079
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
CID 105107049
(3,4-dimethylphenyl)-(5-fluoro-3-pyridinyl)methanol
CID 63893392
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol (CID 114981178) is 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol is Cc1ccc(C)c(CC(O)c2cncc(F)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is CZVPYRXFDVRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-4-11(2)12(5-10)7-15(18)13-6-14(16)9-17-8-13/h3-6,8-9,15,18H,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol?
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 245.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 114981178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).