2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol

C17H19FO — CID 61482044

IUPAC2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H19FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9,17,19H,10H2,1-3H3
InChIKeyNPEFYERAFOZLMB-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.03
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol

2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol (PubChem CID 61482044) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
PubChem CID61482044
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H19FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9,17,19H,10H2,1-3H3
InChIKeyNPEFYERAFOZLMB-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 63018668
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
2-(2,5-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 114981178
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol (CID 61482044) is 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol?
The InChIKey is NPEFYERAFOZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-11-4-5-12(2)15(8-11)10-17(19)14-6-7-16(18)13(3)9-14/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol?
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol has a molecular weight of 258.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 61482044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).