(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol

C10H8Br2O2 — CID 107738820

IUPAC(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C10H8Br2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-5,13H,3,6H2
InChIKeyYJGIBNREZUHKTB-UHFFFAOYSA-N
MW319.98 g/mol
LogP2.72
Rot. Bonds3

About (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol

(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol (PubChem CID 107738820) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
PubChem CID107738820
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol
SMILESC#CCOc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C10H8Br2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-5,13H,3,6H2
InChIKeyYJGIBNREZUHKTB-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713
[3,5-dibromo-4-(2-ethylbutoxy)phenyl]methanol
CID 107739092
N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-4-methoxyaniline
CID 126118933
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 107738824
4-[[2,6-dibromo-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 107738904
N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-2,5-dimethylaniline
CID 126127380
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[3,5-dibromo-4-(3-methylsulfanylpropoxy)phenyl]methanol
CID 107738867
4-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 107738999

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol?
The IUPAC name of (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol (CID 107738820) is (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol.
What is the SMILES notation for (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol?
The canonical SMILES for (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol is C#CCOc1c(Br)cc(CO)cc1Br.
What is the InChIKey of (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol?
The InChIKey is YJGIBNREZUHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-5,13H,3,6H2.
What are the key properties of (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol?
(3,5-dibromo-4-prop-2-ynoxyphenyl)methanol has a molecular weight of 319.98 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-prop-2-ynoxyphenyl)methanol is sourced from PubChem (CID 107738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).