1-bromo-5-methoxycyclohexa-2,4-dien-1-ol

C7H9BrO2 — CID 142722156

IUPAC1-bromo-5-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(O)(Br)C1
InChIInChI=1S/C7H9BrO2/c1-10-6-3-2-4-7(8,9)5-6/h2-4,9H,5H2,1H3
InChIKeyYIVCLOPKSUTSIC-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.56
Rot. Bonds1

About 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol

1-bromo-5-methoxycyclohexa-2,4-dien-1-ol (PubChem CID 142722156) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-bromo-5-methoxycyclohexa-2,4-dien-1-ol
PubChem CID142722156
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name1-bromo-5-methoxycyclohexa-2,4-dien-1-ol
SMILESCOC1=CC=CC(O)(Br)C1
InChIInChI=1S/C7H9BrO2/c1-10-6-3-2-4-7(8,9)5-6/h2-4,9H,5H2,1H3
InChIKeyYIVCLOPKSUTSIC-UHFFFAOYSA-N
XLogP1.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo hydroquinone
CID 118537251
Bromodihydroresorcinol
CID 129794078
2-Bromodihydroresorcinol methyl ether
CID 129807077
(1S,2R)-3-bromo-6-methoxycyclohexa-3,5-diene-1,2-diol
CID 134895716
6-Bromo-5-methoxy-4,6-dimethylcyclohexa-2,4-dien-1-ol
CID 21686266
1-Bromo-4-methoxycyclohexa-2,4-dien-1-ol
CID 22117468
1,5-Dibromocyclohexa-3,5-diene-1,3-diol
CID 67094180
5-Bromo-3,5-Dimethoxy Benzene
CID 69741683
4-Bromo-2-(3-methoxypropoxy)cyclohexa-1,5-dien-1-ol
CID 130195002
5-Bromo-3-methoxycyclohexa-1,3-dien-1-ol
CID 134406904
4-Bromo-2-methoxycyclohexa-1,3-dien-1-ol
CID 145346858
2-Bromo-5-methoxycyclohexa-1,5-dien-1-ol
CID 147072342

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol (CID 142722156) is 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol is COC1=CC=CC(O)(Br)C1.
What is the InChIKey of 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol?
The InChIKey is YIVCLOPKSUTSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-10-6-3-2-4-7(8,9)5-6/h2-4,9H,5H2,1H3.
What are the key properties of 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol?
1-bromo-5-methoxycyclohexa-2,4-dien-1-ol has a molecular weight of 205.05 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142722156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).