2,6-dibromo-4-(1-methoxypropan-2-yl)phenol

C10H12Br2O2 — CID 54472694

IUPAC2,6-dibromo-4-(1-methoxypropan-2-yl)phenol
SMILESCOCC(C)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-6(5-14-2)7-3-8(11)10(13)9(12)4-7/h3-4,6,13H,5H2,1-2H3
InChIKeyXJKNSGKMXNKUOT-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.67
Rot. Bonds3

About 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol

2,6-dibromo-4-(1-methoxypropan-2-yl)phenol (PubChem CID 54472694) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(1-methoxypropan-2-yl)phenol
PubChem CID54472694
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name2,6-dibromo-4-(1-methoxypropan-2-yl)phenol
SMILESCOCC(C)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-6(5-14-2)7-3-8(11)10(13)9(12)4-7/h3-4,6,13H,5H2,1-2H3
InChIKeyXJKNSGKMXNKUOT-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
CID 103602773
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389
2,6-dibromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 107740294
2,6-dibromo-4-[(1,1-dimethoxypropan-2-ylamino)methyl]phenol
CID 107740818
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
2-bromo-4-(1-hydroxypropan-2-yl)-6-nitrophenol
CID 117441544
2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol (CID 54472694) is 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol is COCC(C)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol?
The InChIKey is XJKNSGKMXNKUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-6(5-14-2)7-3-8(11)10(13)9(12)4-7/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol?
2,6-dibromo-4-(1-methoxypropan-2-yl)phenol has a molecular weight of 324.01 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(1-methoxypropan-2-yl)phenol is sourced from PubChem (CID 54472694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).