1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol

C18H20Cl2O — CID 115785100

IUPAC1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2O/c1-18(2,3)15-7-5-4-6-14(15)17(21)10-12-8-9-13(19)11-16(12)20/h4-9,11,17,21H,10H2,1-3H3
InChIKeyLHSUTLBLTWMALW-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.57
Rot. Bonds3

About 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol

1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 115785100) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
PubChem CID115785100
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2O/c1-18(2,3)15-7-5-4-6-14(15)17(21)10-12-8-9-13(19)11-16(12)20/h4-9,11,17,21H,10H2,1-3H3
InChIKeyLHSUTLBLTWMALW-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 55187922
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
1-(2-tert-butylphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055595
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CID 105086789
2-(2,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114104601
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol (CID 115785100) is 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol is CC(C)(C)c1ccccc1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is LHSUTLBLTWMALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c1-18(2,3)15-7-5-4-6-14(15)17(21)10-12-8-9-13(19)11-16(12)20/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol?
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 323.26 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 115785100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).