1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol

C15H14BrFO2 — CID 82805505

IUPAC1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(Br)c2)c1F
InChIInChI=1S/C15H14BrFO2/c1-15(18,10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,18H,1-2H3
InChIKeyBRFUDDYAXPTTMJ-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol

1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 82805505) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID82805505
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(C)(O)c2cccc(Br)c2)c1F
InChIInChI=1S/C15H14BrFO2/c1-15(18,10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,18H,1-2H3
InChIKeyBRFUDDYAXPTTMJ-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-1-(3-methylphenyl)ethanol
CID 82806005
1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82808045
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
1-(2-fluoro-3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 82805823
1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol (CID 82805505) is 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(C(C)(O)c2cccc(Br)c2)c1F.
What is the InChIKey of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is BRFUDDYAXPTTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-15(18,10-5-3-6-11(16)9-10)12-7-4-8-13(19-2)14(12)17/h3-9,18H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol?
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 325.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 82805505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).