3-bromo-2-(2-methylpropyl)-6-phosphanylphenol

C10H14BrOP — CID 143486560

IUPAC3-bromo-2-(2-methylpropyl)-6-phosphanylphenol
SMILESCC(C)Cc1c(Br)ccc(P)c1O
InChIInChI=1S/C10H14BrOP/c1-6(2)5-7-8(11)3-4-9(13)10(7)12/h3-4,6,12H,5,13H2,1-2H3
InChIKeyIUWUPYHVFJXUGW-UHFFFAOYSA-N
MW261.10 g/mol
LogP2.85
Rot. Bonds2

About 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol

3-bromo-2-(2-methylpropyl)-6-phosphanylphenol (PubChem CID 143486560) has the molecular formula C10H14BrOP and a molecular weight of 261.10 g/mol. Its IUPAC name is 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol.

Molecular Properties

Compound Name3-bromo-2-(2-methylpropyl)-6-phosphanylphenol
PubChem CID143486560
Molecular FormulaC10H14BrOP
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Name3-bromo-2-(2-methylpropyl)-6-phosphanylphenol
SMILESCC(C)Cc1c(Br)ccc(P)c1O
InChIInChI=1S/C10H14BrOP/c1-6(2)5-7-8(11)3-4-9(13)10(7)12/h3-4,6,12H,5,13H2,1-2H3
InChIKeyIUWUPYHVFJXUGW-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974
2-(2-aminopropyl)-3-bromo-6-methylphenol
CID 117361743
3-bromo-6-fluoro-2-(2-methylpropyl)benzaldehyde
CID 123976230
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
2-amino-3-(6-bromo-2,3-dihydroxyphenyl)propanoic acid
CID 117441558
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
4-bromo-2-(2-hydroxypropyl)-3-methylphenol
CID 117364048
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
2,3-bis(2-methylpropyl)-4-propan-2-ylphenol
CID 139802113
1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
CID 159624345
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
2-(4-bromo-3-methylphenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol?
The IUPAC name of 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol (CID 143486560) is 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol.
What is the SMILES notation for 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol?
The canonical SMILES for 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol is CC(C)Cc1c(Br)ccc(P)c1O.
What is the InChIKey of 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol?
The InChIKey is IUWUPYHVFJXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrOP/c1-6(2)5-7-8(11)3-4-9(13)10(7)12/h3-4,6,12H,5,13H2,1-2H3.
What are the key properties of 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol?
3-bromo-2-(2-methylpropyl)-6-phosphanylphenol has a molecular weight of 261.10 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-methylpropyl)-6-phosphanylphenol is sourced from PubChem (CID 143486560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).