(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol

C9H9Br3O3 — CID 57397664

IUPAC(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1c(Br)c(Br)c(CO)c(Br)c1OC
InChIInChI=1S/C9H9Br3O3/c1-14-8-6(11)4(3-13)5(10)7(12)9(8)15-2/h13H,3H2,1-2H3
InChIKeyVUMVVGRIGBOUHZ-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.48
Rot. Bonds3

About (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol

(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol (PubChem CID 57397664) has the molecular formula C9H9Br3O3 and a molecular weight of 404.88 g/mol. Its IUPAC name is (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol
PubChem CID57397664
Molecular FormulaC9H9Br3O3
Molecular Weight404.88 g/mol
Exact Mass401.81
IUPAC Name(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol
SMILESCOc1c(Br)c(Br)c(CO)c(Br)c1OC
InChIInChI=1S/C9H9Br3O3/c1-14-8-6(11)4(3-13)5(10)7(12)9(8)15-2/h13H,3H2,1-2H3
InChIKeyVUMVVGRIGBOUHZ-UHFFFAOYSA-N
XLogP3.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Bis(2,3,6-tribromo-4,5-dihydroxybenzyl) ether
CID 23426771
1,2-Benzenediol, 3,4,6-tribromo-5-(hydroxymethyl)-
CID 9976853
(2-Bromo-4,5-dimethoxyphenyl)methanol
CID 618887
3,6-Dibromo-4-(methoxymethyl)-5-[(2,3,6-tribromo-4,5-dihydroxyphenyl)methyl]benzene-1,2-diol
CID 16757396
2,3,6-Tribromo-4,5-dihydroxybenzyl methyl ether
CID 11383736
[3-Bromo-2-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxyphenyl]methanol
CID 46863469
1,2,5-Tribromo-3,4-dimethoxy-6-[(2,3,6-tribromo-4,5-dimethoxyphenyl)methyl]benzene
CID 53307609
(3,4-Diacetyloxy-2,5,6-tribromophenyl)methyl acetate
CID 57397836
2,3-Dibromo-6-methoxy-4-(propan-2-yloxymethyl)phenol
CID 137638547
2,3,6-Tribromo-4,5-dihydroxybenzyl ethyl ether
CID 44632079
(3-Bromo-4,5-Dimethoxyphenyl)Methanol
CID 11831742
2,3-Dibromo-4,5-dimethoxy-phenyl-methanol
CID 23426699

Frequently Asked Questions

What is the IUPAC name of (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol (CID 57397664) is (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol is COc1c(Br)c(Br)c(CO)c(Br)c1OC.
What is the InChIKey of (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol?
The InChIKey is VUMVVGRIGBOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br3O3/c1-14-8-6(11)4(3-13)5(10)7(12)9(8)15-2/h13H,3H2,1-2H3.
What are the key properties of (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol?
(2,3,6-tribromo-4,5-dimethoxyphenyl)methanol has a molecular weight of 404.88 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-tribromo-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 57397664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).