1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol

C16H17FO — CID 55120280

IUPAC1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FO/c1-11-8-9-13(12(2)10-11)16(3,18)14-6-4-5-7-15(14)17/h4-10,18H,1-3H3
InChIKeyAQDZQGSDFNFFOC-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.70
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol

1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol (PubChem CID 55120280) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
PubChem CID55120280
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccccc2F)c(C)c1
InChIInChI=1S/C16H17FO/c1-11-8-9-13(12(2)10-11)16(3,18)14-6-4-5-7-15(14)17/h4-10,18H,1-3H3
InChIKeyAQDZQGSDFNFFOC-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 107512082
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
1-(3-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanol
CID 79692201
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
1-(3,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 55116357
1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol
CID 62801838
2-(2,4-dimethylphenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049729
1-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 62789032
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol (CID 55120280) is 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol is Cc1ccc(C(C)(O)c2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol?
The InChIKey is AQDZQGSDFNFFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-11-8-9-13(12(2)10-11)16(3,18)14-6-4-5-7-15(14)17/h4-10,18H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol?
1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol has a molecular weight of 244.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 55120280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).