4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol

C14H13BrO3 — CID 117242764

IUPAC4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
SMILESOc1ccc(OCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrO3/c15-11-3-1-2-10(8-11)14(17)9-18-13-6-4-12(16)5-7-13/h1-8,14,16-17H,9H2
InChIKeyILKREJQONJPVIS-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.27
Rot. Bonds4

About 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol

4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol (PubChem CID 117242764) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
PubChem CID117242764
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
SMILESOc1ccc(OCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrO3/c15-11-3-1-2-10(8-11)14(17)9-18-13-6-4-12(16)5-7-13/h1-8,14,16-17H,9H2
InChIKeyILKREJQONJPVIS-UHFFFAOYSA-N
XLogP3.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
CID 109416216
1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
CID 167985590
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
2-[2-(3-bromophenyl)-2-hydroxyethyl]sulfanylphenol
CID 141495071
4-[2-[bis[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 54261820
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol?
The IUPAC name of 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol (CID 117242764) is 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol.
What is the SMILES notation for 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol?
The canonical SMILES for 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol is Oc1ccc(OCC(O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol?
The InChIKey is ILKREJQONJPVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c15-11-3-1-2-10(8-11)14(17)9-18-13-6-4-12(16)5-7-13/h1-8,14,16-17H,9H2.
What are the key properties of 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol?
4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol has a molecular weight of 309.16 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol is sourced from PubChem (CID 117242764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).