2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol

C7H7Br3O — CID 67705251

IUPAC2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(Br)CC(Br)=CC(Br)=C1O
InChIInChI=1S/C7H7Br3O/c1-7(10)3-4(8)2-5(9)6(7)11/h2,11H,3H2,1H3
InChIKeyKBKVSUYMRQRBHY-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.99
Rot. Bonds

About 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol

2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 67705251) has the molecular formula C7H7Br3O and a molecular weight of 346.84 g/mol. Its IUPAC name is 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID67705251
Molecular FormulaC7H7Br3O
Molecular Weight346.84 g/mol
Exact Mass343.80
IUPAC Name2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1(Br)CC(Br)=CC(Br)=C1O
InChIInChI=1S/C7H7Br3O/c1-7(10)3-4(8)2-5(9)6(7)11/h2,11H,3H2,1H3
InChIKeyKBKVSUYMRQRBHY-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol (CID 67705251) is 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol is CC1(Br)CC(Br)=CC(Br)=C1O.
What is the InChIKey of 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is KBKVSUYMRQRBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br3O/c1-7(10)3-4(8)2-5(9)6(7)11/h2,11H,3H2,1H3.
What are the key properties of 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol?
2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 346.84 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 67705251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).