1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol

C18H20ClFO — CID 103043527

IUPAC1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFO/c1-18(2,3)14-7-5-4-6-13(14)17(21)11-12-8-9-16(20)15(19)10-12/h4-10,17,21H,11H2,1-3H3
InChIKeyCJIDCPGDEJQUJI-UHFFFAOYSA-N
MW306.81 g/mol
LogP5.05
Rot. Bonds3

About 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol

1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 103043527) has the molecular formula C18H20ClFO and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID103043527
Molecular FormulaC18H20ClFO
Molecular Weight306.81 g/mol
Exact Mass306.12
IUPAC Name1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFO/c1-18(2,3)14-7-5-4-6-13(14)17(21)11-12-8-9-16(20)15(19)10-12/h4-10,17,21H,11H2,1-3H3
InChIKeyCJIDCPGDEJQUJI-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
1-(2-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
1-(1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038983
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol (CID 103043527) is 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol is CC(C)(C)c1ccccc1C(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is CJIDCPGDEJQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFO/c1-18(2,3)14-7-5-4-6-13(14)17(21)11-12-8-9-16(20)15(19)10-12/h4-10,17,21H,11H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 306.81 g/mol, XLogP of 5.05, 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-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 103043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).