1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol

C7H8Br2O2 — CID 67613052

IUPAC1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC(Br)=CC1(O)Br
InChIInChI=1S/C7H8Br2O2/c1-11-6-3-2-5(8)4-7(6,9)10/h2-4,6,10H,1H3
InChIKeyAYZNAXACFRXXLY-UHFFFAOYSA-N
MW283.95 g/mol
LogP1.93
Rot. Bonds1

About 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol

1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 67613052) has the molecular formula C7H8Br2O2 and a molecular weight of 283.95 g/mol. Its IUPAC name is 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol
PubChem CID67613052
Molecular FormulaC7H8Br2O2
Molecular Weight283.95 g/mol
Exact Mass281.89
IUPAC Name1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1C=CC(Br)=CC1(O)Br
InChIInChI=1S/C7H8Br2O2/c1-11-6-3-2-5(8)4-7(6,9)10/h2-4,6,10H,1H3
InChIKeyAYZNAXACFRXXLY-UHFFFAOYSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.95
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol (CID 67613052) is 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol is COC1C=CC(Br)=CC1(O)Br.
What is the InChIKey of 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is AYZNAXACFRXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2O2/c1-11-6-3-2-5(8)4-7(6,9)10/h2-4,6,10H,1H3.
What are the key properties of 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol?
1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 283.95 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-6-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67613052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).