1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

C18H21FO — CID 63410710

IUPAC1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C18H21FO/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyIELOCRZILZLLTG-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.34
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63410710) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID63410710
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2ccc(F)c(C)c2)c(C)c1
InChIInChI=1S/C18H21FO/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyIELOCRZILZLLTG-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
1-(4-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 62607449
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115828418
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212
1-(4-fluoro-3-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114200460

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 63410710) is 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2ccc(F)c(C)c2)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is IELOCRZILZLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18,20H,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 272.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63410710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).