2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol

C17H18Cl2O — CID 63410604

IUPAC2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3-9,11,17,20H,10H2,1-2H3
InChIKeyGYTGKGWUXJGMEX-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.39
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol

2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 63410604) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID63410604
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3-9,11,17,20H,10H2,1-2H3
InChIKeyGYTGKGWUXJGMEX-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
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-(4-cyclobutylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 116505751
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol (CID 63410604) is 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is GYTGKGWUXJGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-11(2)13-4-6-14(7-5-13)17(20)10-12-3-8-15(18)16(19)9-12/h3-9,11,17,20H,10H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 309.24 g/mol, XLogP of 5.39, 4 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-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 63410604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).