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

C15H13BrClFO — CID 112653147

IUPAC1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C15H13BrClFO/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3
InChIKeyKYTQDRZSAIXTBM-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 112653147) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID112653147
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cccc(F)c2Cl)ccc1Br
InChIInChI=1S/C15H13BrClFO/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3
InChIKeyKYTQDRZSAIXTBM-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

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(3-bromo-5-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831119
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(2-bromo-4-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653163
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-3-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 115983362

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 112653147) is 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is Cc1cc(C(O)Cc2cccc(F)c2Cl)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is KYTQDRZSAIXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-7-10(5-6-12(9)16)14(19)8-11-3-2-4-13(18)15(11)17/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-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-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 112653147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).