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

C17H19ClO — CID 64989886

IUPAC2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClO/c1-11-8-13(3)16(9-12(11)2)17(19)10-14-4-6-15(18)7-5-14/h4-9,17,19H,10H2,1-3H3
InChIKeyISGHZOICTFQISQ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.54
Rot. Bonds3

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

2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol (PubChem CID 64989886) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
PubChem CID64989886
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClO/c1-11-8-13(3)16(9-12(11)2)17(19)10-14-4-6-15(18)7-5-14/h4-9,17,19H,10H2,1-3H3
InChIKeyISGHZOICTFQISQ-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 64990344
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
2-(4-chlorophenyl)-N-ethyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990147
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol (CID 64989886) is 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol?
The InChIKey is ISGHZOICTFQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-11-8-13(3)16(9-12(11)2)17(19)10-14-4-6-15(18)7-5-14/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol?
2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol has a molecular weight of 274.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4,5-trimethylphenyl)ethanol is sourced from PubChem (CID 64989886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).