[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol

C13H18Br2O2 — CID 107739092

IUPAC[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
SMILESCCC(CC)COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C13H18Br2O2/c1-3-9(4-2)8-17-13-11(14)5-10(7-16)6-12(13)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyWPSUZOWPSYKXRR-UHFFFAOYSA-N
MW366.09 g/mol
LogP4.52
Rot. Bonds6

About [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol

[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol (PubChem CID 107739092) has the molecular formula C13H18Br2O2 and a molecular weight of 366.09 g/mol. Its IUPAC name is [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
PubChem CID107739092
Molecular FormulaC13H18Br2O2
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC Name[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
SMILESCCC(CC)COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C13H18Br2O2/c1-3-9(4-2)8-17-13-11(14)5-10(7-16)6-12(13)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyWPSUZOWPSYKXRR-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methyl]propan-1-amine
CID 107742455
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
1,3-dibromo-5-(chloromethyl)-2-(2-methylpropoxy)benzene
CID 107745281
(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
CID 107738820
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
CID 107739141
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
CID 107738905
[3,5-dibromo-4-(2-methylpropoxy)phenyl]methanamine
CID 107741240

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol (CID 107739092) is [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol is CCC(CC)COc1c(Br)cc(CO)cc1Br.
What is the InChIKey of [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol?
The InChIKey is WPSUZOWPSYKXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2O2/c1-3-9(4-2)8-17-13-11(14)5-10(7-16)6-12(13)15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol?
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol has a molecular weight of 366.09 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol is sourced from PubChem (CID 107739092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).