1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol

C16H16BrFO3 — CID 61087578

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-3-5-11(18)6-4-10/h3-6,8-9,14,19H,7H2,1-2H3
InChIKeyVTOSVYRMRLVCCB-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.88
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol

1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 61087578) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID61087578
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H16BrFO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-3-5-11(18)6-4-10/h3-6,8-9,14,19H,7H2,1-2H3
InChIKeyVTOSVYRMRLVCCB-UHFFFAOYSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(2-fluoro-4,5-dimethoxyphenyl)-2-(4-methylphenyl)ethanol
CID 62865520
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 103395965
1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 65146026
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol (CID 61087578) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol is COc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is VTOSVYRMRLVCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-15-8-12(13(17)9-16(15)21-2)14(19)7-10-3-5-11(18)6-4-10/h3-6,8-9,14,19H,7H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 355.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 61087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).