5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol

C15H14Br2O4 — CID 118565985

IUPAC5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol
SMILESOc1cc(O)c(Cc2c(O)cc(O)cc2CBr)c(CBr)c1
InChIInChI=1S/C15H14Br2O4/c16-6-8-1-10(18)3-14(20)12(8)5-13-9(7-17)2-11(19)4-15(13)21/h1-4,18-21H,5-7H2
InChIKeyFVYGEMHOXCQZAM-UHFFFAOYSA-N
MW418.08 g/mol
LogP3.89
Rot. Bonds4

About 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol

5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol (PubChem CID 118565985) has the molecular formula C15H14Br2O4 and a molecular weight of 418.08 g/mol. Its IUPAC name is 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol
PubChem CID118565985
Molecular FormulaC15H14Br2O4
Molecular Weight418.08 g/mol
Exact Mass415.93
IUPAC Name5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol
SMILESOc1cc(O)c(Cc2c(O)cc(O)cc2CBr)c(CBr)c1
InChIInChI=1S/C15H14Br2O4/c16-6-8-1-10(18)3-14(20)12(8)5-13-9(7-17)2-11(19)4-15(13)21/h1-4,18-21H,5-7H2
InChIKeyFVYGEMHOXCQZAM-UHFFFAOYSA-N
XLogP3.89
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.08
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-4-fluorobenzene-1,3-diol
CID 156868769
2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 90416964
1,3-bis(2,4,6-trihydroxyphenyl)propan-2-one
CID 156637989
4-[(2,4,6-trihydroxyphenyl)methyl]benzene-1,2,3-triol
CID 20820811
2-propylbenzene-1,3,5-triol
CID 13411724
2-(6-methylheptyl)benzene-1,3,5-triol
CID 22165808
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
CID 130987984
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
3-(bromomethyl)-4-hydrazinylphenol
CID 130779190
1-[[4,5-bis[(3,4-dihydroxyphenyl)methyl]-2,7-dihydroxynaphthalen-1-yl]methyl]-4,5-bis[(3,4-dihydroxyphenyl)methyl]naphthalene-2,7-diol
CID 139492113
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
2,4,6-tris(bromomethyl)phenol
CID 155202346

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol?
The IUPAC name of 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol (CID 118565985) is 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol.
What is the SMILES notation for 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol?
The canonical SMILES for 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol is Oc1cc(O)c(Cc2c(O)cc(O)cc2CBr)c(CBr)c1.
What is the InChIKey of 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol?
The InChIKey is FVYGEMHOXCQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O4/c16-6-8-1-10(18)3-14(20)12(8)5-13-9(7-17)2-11(19)4-15(13)21/h1-4,18-21H,5-7H2.
What are the key properties of 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol?
5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol has a molecular weight of 418.08 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-[[2-(bromomethyl)-4,6-dihydroxyphenyl]methyl]benzene-1,3-diol is sourced from PubChem (CID 118565985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).