4-bromo-2-chloro-6-(3-hydroxypropyl)phenol

C9H10BrClO2 — CID 71282829

IUPAC4-bromo-2-chloro-6-(3-hydroxypropyl)phenol
SMILESOCCCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H10BrClO2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h4-5,12-13H,1-3H2
InChIKeyYMCWJRIJLQBROT-UHFFFAOYSA-N
MW265.53 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol

4-bromo-2-chloro-6-(3-hydroxypropyl)phenol (PubChem CID 71282829) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(3-hydroxypropyl)phenol
PubChem CID71282829
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name4-bromo-2-chloro-6-(3-hydroxypropyl)phenol
SMILESOCCCc1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H10BrClO2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h4-5,12-13H,1-3H2
InChIKeyYMCWJRIJLQBROT-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol?
The IUPAC name of 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol (CID 71282829) is 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol?
The canonical SMILES for 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol is OCCCc1cc(Br)cc(Cl)c1O.
What is the InChIKey of 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol?
The InChIKey is YMCWJRIJLQBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h4-5,12-13H,1-3H2.
What are the key properties of 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol?
4-bromo-2-chloro-6-(3-hydroxypropyl)phenol has a molecular weight of 265.53 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(3-hydroxypropyl)phenol is sourced from PubChem (CID 71282829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).