6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol

C9H9BrF2O2 — CID 117420933

IUPAC6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
SMILESOCCCc1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C9H9BrF2O2/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,13-14H,1-3H2
InChIKeyRFQOWEIUKCYHPC-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.36
Rot. Bonds3

About 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol

6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol (PubChem CID 117420933) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
PubChem CID117420933
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
SMILESOCCCc1c(O)c(Br)cc(F)c1F
InChIInChI=1S/C9H9BrF2O2/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,13-14H,1-3H2
InChIKeyRFQOWEIUKCYHPC-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
3-bromo-5-fluoro-4-(3-hydroxypropyl)benzene-1,2-diol
CID 117416400
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
4-(3-bromo-2,5,6-trifluorophenyl)butan-1-amine
CID 117115711
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443600
3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
CID 117406540
2,6-dibromo-3,4-difluorophenol
CID 84814133
3-(2-aminoethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117378174
3-(4-bromo-2,3,5,6-tetrafluorophenyl)propan-1-ol
CID 117117683
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol?
The IUPAC name of 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol (CID 117420933) is 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol.
What is the SMILES notation for 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol?
The canonical SMILES for 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol is OCCCc1c(O)c(Br)cc(F)c1F.
What is the InChIKey of 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol?
The InChIKey is RFQOWEIUKCYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c10-6-4-7(11)8(12)5(9(6)14)2-1-3-13/h4,13-14H,1-3H2.
What are the key properties of 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol?
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol has a molecular weight of 267.07 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol is sourced from PubChem (CID 117420933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).