4-bromo-2-(1-hydroxypropyl)phenol

C9H11BrO2 — CID 16769801

IUPAC4-bromo-2-(1-hydroxypropyl)phenol
SMILESCCC(O)c1cc(Br)ccc1O
InChIInChI=1S/C9H11BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,8,11-12H,2H2,1H3
InChIKeyIAXFCFIUECPTFI-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-2-(1-hydroxypropyl)phenol

4-bromo-2-(1-hydroxypropyl)phenol (PubChem CID 16769801) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxypropyl)phenol
PubChem CID16769801
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name4-bromo-2-(1-hydroxypropyl)phenol
SMILESCCC(O)c1cc(Br)ccc1O
InChIInChI=1S/C9H11BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,8,11-12H,2H2,1H3
InChIKeyIAXFCFIUECPTFI-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxypropyl)phenol?
The IUPAC name of 4-bromo-2-(1-hydroxypropyl)phenol (CID 16769801) is 4-bromo-2-(1-hydroxypropyl)phenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxypropyl)phenol?
The canonical SMILES for 4-bromo-2-(1-hydroxypropyl)phenol is CCC(O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(1-hydroxypropyl)phenol?
The InChIKey is IAXFCFIUECPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,8,11-12H,2H2,1H3.
What are the key properties of 4-bromo-2-(1-hydroxypropyl)phenol?
4-bromo-2-(1-hydroxypropyl)phenol has a molecular weight of 231.09 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxypropyl)phenol is sourced from PubChem (CID 16769801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).