2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol

C18H20Cl2O — CID 63428543

IUPAC2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2O/c1-12(2)9-13-3-6-15(7-4-13)18(21)11-14-5-8-16(19)17(20)10-14/h3-8,10,12,18,21H,9,11H2,1-2H3
InChIKeyIYEWMPYSVMYLJU-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.47
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 63428543) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID63428543
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H20Cl2O/c1-12(2)9-13-3-6-15(7-4-13)18(21)11-14-5-8-16(19)17(20)10-14/h3-8,10,12,18,21H,9,11H2,1-2H3
InChIKeyIYEWMPYSVMYLJU-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
(3,4-dichlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428546
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
1-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
2-(3-chloro-2-fluorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102856962
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 63428543) is 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is IYEWMPYSVMYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c1-12(2)9-13-3-6-15(7-4-13)18(21)11-14-5-8-16(19)17(20)10-14/h3-8,10,12,18,21H,9,11H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 323.26 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 63428543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).