2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol

C16H16BrFO2 — CID 115784994

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO2/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(17)4-5-14(11)18/h3-8,15,19H,9H2,1-2H3
InChIKeyMRHPTHKPWHLNOE-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.18
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 115784994) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID115784994
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFO2/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(17)4-5-14(11)18/h3-8,15,19H,9H2,1-2H3
InChIKeyMRHPTHKPWHLNOE-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol (CID 115784994) is 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is MRHPTHKPWHLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-10-3-6-16(20-2)13(7-10)15(19)9-11-8-12(17)4-5-14(11)18/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 339.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 115784994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).