2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol

C10H12BrFO3 — CID 117447283

IUPAC2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(F)c(CCCO)c(Br)c1O
InChIInChI=1S/C10H12BrFO3/c1-15-8-5-7(12)6(3-2-4-13)9(11)10(8)14/h5,13-14H,2-4H2,1H3
InChIKeyPPEBZVOKDRJXDU-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.23
Rot. Bonds4

About 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol

2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol (PubChem CID 117447283) has the molecular formula C10H12BrFO3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
PubChem CID117447283
Molecular FormulaC10H12BrFO3
Molecular Weight279.10 g/mol
Exact Mass278.00
IUPAC Name2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(F)c(CCCO)c(Br)c1O
InChIInChI=1S/C10H12BrFO3/c1-15-8-5-7(12)6(3-2-4-13)9(11)10(8)14/h5,13-14H,2-4H2,1H3
InChIKeyPPEBZVOKDRJXDU-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
3-bromo-5-fluoro-4-(3-hydroxypropyl)benzene-1,2-diol
CID 117416400
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol (CID 117447283) is 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol is COc1cc(F)c(CCCO)c(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol?
The InChIKey is PPEBZVOKDRJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-15-8-5-7(12)6(3-2-4-13)9(11)10(8)14/h5,13-14H,2-4H2,1H3.
What are the key properties of 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol?
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol has a molecular weight of 279.10 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 117447283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).