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

C18H20Cl2O — CID 115482625

IUPAC2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1CC
InChIInChI=1S/C18H20Cl2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11,18,21H,3-4,10H2,1-2H3
InChIKeyVCYMZOKPMAZNBR-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.39
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol (PubChem CID 115482625) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
PubChem CID115482625
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1CC
InChIInChI=1S/C18H20Cl2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11,18,21H,3-4,10H2,1-2H3
InChIKeyVCYMZOKPMAZNBR-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
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
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
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-diethylphenyl)propan-1-ol
CID 115482676
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
2-(3,4-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502712
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)propan-2-ol
CID 63410727
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
6-[2-(3,4-dichlorophenyl)-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
CID 63047192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol (CID 115482625) is 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol is CCc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)cc1CC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol?
The InChIKey is VCYMZOKPMAZNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11,18,21H,3-4,10H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol has a molecular weight of 323.26 g/mol, XLogP of 5.39, 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-(3,4-diethylphenyl)ethanol is sourced from PubChem (CID 115482625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).