1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol

C15H13BrClFO — CID 103039131

IUPAC1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-14(18)13(17)7-10/h2-7,15,19H,8H2,1H3
InChIKeyQTCQEVZYFBIAIM-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol

1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 103039131) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID103039131
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(F)c(Cl)c2)c(Br)c1
InChIInChI=1S/C15H13BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-14(18)13(17)7-10/h2-7,15,19H,8H2,1H3
InChIKeyQTCQEVZYFBIAIM-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 112653163
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CID 63016944
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
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2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
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CID 107307604
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
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2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
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1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
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CID 105399377

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol (CID 103039131) is 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol is Cc1ccc(C(O)Cc2ccc(F)c(Cl)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is QTCQEVZYFBIAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-2-4-11(12(16)6-9)15(19)8-10-3-5-14(18)13(17)7-10/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol?
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 103039131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).