1-phenyl-1-(2,4,5-trimethylphenyl)ethanol

C17H20O — CID 64985168

IUPAC1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(C)(O)c2ccccc2)cc1C
InChIInChI=1S/C17H20O/c1-12-10-14(3)16(11-13(12)2)17(4,18)15-8-6-5-7-9-15/h5-11,18H,1-4H3
InChIKeyOMEFIBAWEBABJK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.87
Rot. Bonds2

About 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol

1-phenyl-1-(2,4,5-trimethylphenyl)ethanol (PubChem CID 64985168) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
PubChem CID64985168
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(C)(O)c2ccccc2)cc1C
InChIInChI=1S/C17H20O/c1-12-10-14(3)16(11-13(12)2)17(4,18)15-8-6-5-7-9-15/h5-11,18H,1-4H3
InChIKeyOMEFIBAWEBABJK-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387
(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
CID 164669380
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
1-anthracen-1-yl-1-phenylethanol
CID 2793943
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
1-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62801465

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol?
The IUPAC name of 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol (CID 64985168) is 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol.
What is the SMILES notation for 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol?
The canonical SMILES for 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol is Cc1cc(C)c(C(C)(O)c2ccccc2)cc1C.
What is the InChIKey of 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol?
The InChIKey is OMEFIBAWEBABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12-10-14(3)16(11-13(12)2)17(4,18)15-8-6-5-7-9-15/h5-11,18H,1-4H3.
What are the key properties of 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol?
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol has a molecular weight of 240.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(2,4,5-trimethylphenyl)ethanol is sourced from PubChem (CID 64985168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).