2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol

C14H11Cl3O — CID 61080644

IUPAC2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14,18H,7H2
InChIKeyLFWCZVNRTMHDRW-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 61080644) has the molecular formula C14H11Cl3O and a molecular weight of 301.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
PubChem CID61080644
Molecular FormulaC14H11Cl3O
Molecular Weight301.60 g/mol
Exact Mass299.99
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14,18H,7H2
InChIKeyLFWCZVNRTMHDRW-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanol
CID 103216621
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol (CID 61080644) is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is LFWCZVNRTMHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14,18H,7H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol?
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 301.60 g/mol, XLogP of 4.92, 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-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 61080644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).