1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol

C16H17FO — CID 60918138

IUPAC1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(C)cc(C(O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9,16,18H,10H2,1-2H3
InChIKeyGGPRUFKNDCHAKE-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.72
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 60918138) has the molecular formula C16H17FO and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID60918138
Molecular FormulaC16H17FO
Molecular Weight244.31 g/mol
Exact Mass244.13
IUPAC Name1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(C)cc(C(O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9,16,18H,10H2,1-2H3
InChIKeyGGPRUFKNDCHAKE-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 107884328
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
2-(4-fluorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanol
CID 63426002
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol (CID 60918138) is 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol is Cc1cc(C)cc(C(O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is GGPRUFKNDCHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-11-7-12(2)9-14(8-11)16(18)10-13-3-5-15(17)6-4-13/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol?
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 244.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60918138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).