2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide

C10H14BrFO2 — CID 84711385

IUPAC2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
SMILESBr.COc1c(F)cccc1C(C)(C)O
InChIInChI=1S/C10H13FO2.BrH/c1-10(2,12)7-5-4-6-8(11)9(7)13-3;/h4-6,12H,1-3H3;1H
InChIKeyYFWQBHHFSATMBQ-UHFFFAOYSA-N
MW265.12 g/mol
LogP2.64
Rot. Bonds2

About 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide

2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide (PubChem CID 84711385) has the molecular formula C10H14BrFO2 and a molecular weight of 265.12 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
PubChem CID84711385
Molecular FormulaC10H14BrFO2
Molecular Weight265.12 g/mol
Exact Mass264.02
IUPAC Name2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
SMILESBr.COc1c(F)cccc1C(C)(C)O
InChIInChI=1S/C10H13FO2.BrH/c1-10(2,12)7-5-4-6-8(11)9(7)13-3;/h4-6,12H,1-3H3;1H
InChIKeyYFWQBHHFSATMBQ-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
CID 105426357
3-fluoro-6-(2-hydroxypropan-2-yl)-2-methoxyphenol
CID 84669345
2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
(E)-4-(3-fluoro-2-methoxyphenyl)-4-methylpent-2-enoic acid
CID 124514676
4-(3-fluoro-2-methoxyphenyl)-4-methylpent-2-enoic acid
CID 71418000
2-(2-chloro-3-fluorophenyl)propan-2-ol
CID 84661762
2-(2-amino-3-fluorophenyl)propan-2-ol
CID 117104081
2-(4-bromo-3-fluoro-2-methoxyphenyl)propan-2-ol
CID 84711006
2-[2-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117113926
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117358289
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide?
The IUPAC name of 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide (CID 84711385) is 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide.
What is the SMILES notation for 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide?
The canonical SMILES for 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide is Br.COc1c(F)cccc1C(C)(C)O.
What is the InChIKey of 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide?
The InChIKey is YFWQBHHFSATMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2.BrH/c1-10(2,12)7-5-4-6-8(11)9(7)13-3;/h4-6,12H,1-3H3;1H.
What are the key properties of 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide?
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide has a molecular weight of 265.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide is sourced from PubChem (CID 84711385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).