2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol

C11H14BrFO3 — CID 105424355

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1cc(Br)c(C(C)(F)CO)cc1OC
InChIInChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyBIXSDJZPGZCJGC-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol

2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol (PubChem CID 105424355) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
PubChem CID105424355
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1cc(Br)c(C(C)(F)CO)cc1OC
InChIInChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyBIXSDJZPGZCJGC-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(5-chloro-2-methoxyphenyl)-2-fluoropropan-1-ol
CID 105426373
[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methanol
CID 84695385
1-bromo-4-(bromomethyl)-5-methoxy-2-(trifluoromethyl)benzene
CID 171003728
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
CID 117439695
(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171244525
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
CID 116841207
1-bromo-2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)benzene
CID 166108119
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol (CID 105424355) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol is COc1cc(Br)c(C(C)(F)CO)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The InChIKey is BIXSDJZPGZCJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol has a molecular weight of 293.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105424355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).