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

C18H20ClFO — CID 63411155

IUPAC2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H20ClFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3
InChIKeyVBSNAJKOEMJZQJ-UHFFFAOYSA-N
MW306.81 g/mol
LogP5.05
Rot. Bonds3

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

2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 63411155) has the molecular formula C18H20ClFO and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
PubChem CID63411155
Molecular FormulaC18H20ClFO
Molecular Weight306.81 g/mol
Exact Mass306.12
IUPAC Name2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H20ClFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3
InChIKeyVBSNAJKOEMJZQJ-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-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethanol
CID 55150652
(1S,3S)-3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237018
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-fluorobenzene
CID 63440141
(1R,3R)-3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237631
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 107883556
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol (CID 63411155) is 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol is CC(C)(C)c1ccc(CC(O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is VBSNAJKOEMJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFO/c1-18(2,3)13-6-4-12(5-7-13)10-17(21)15-9-8-14(20)11-16(15)19/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol?
2-(4-tert-butylphenyl)-1-(2-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 2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 63411155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).