1-(2,6-dibromo-4-methylphenoxy)propan-2-ol

C10H12Br2O2 — CID 129065841

IUPAC1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
SMILESCc1cc(Br)c(OCC(C)O)c(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3
InChIKeyUVCOUYPHWFBYHD-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol

1-(2,6-dibromo-4-methylphenoxy)propan-2-ol (PubChem CID 129065841) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
PubChem CID129065841
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
SMILESCc1cc(Br)c(OCC(C)O)c(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3
InChIKeyUVCOUYPHWFBYHD-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichloro-4-methylphenoxy)propan-2-ol
CID 90679727
3,5-dibromo-4-(2-hydroxypropoxy)benzoic acid
CID 107738565
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol
CID 155700206
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-2-ol
CID 117459055
1-[3,5-dibromo-4-[2-[2,6-dibromo-4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 158241678
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1,3-dibromo-5-(chloromethyl)-2-(2-methylpropoxy)benzene
CID 107745281

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol (CID 129065841) is 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol is Cc1cc(Br)c(OCC(C)O)c(Br)c1.
What is the InChIKey of 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol?
The InChIKey is UVCOUYPHWFBYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-6-3-8(11)10(9(12)4-6)14-5-7(2)13/h3-4,7,13H,5H2,1-2H3.
What are the key properties of 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol?
1-(2,6-dibromo-4-methylphenoxy)propan-2-ol has a molecular weight of 324.01 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 129065841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).