4-bromo-2-methoxycyclohexa-1,3-dien-1-ol

C7H9BrO2 — CID 145346858

IUPAC4-bromo-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)CCC(Br)=C1
InChIInChI=1S/C7H9BrO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3
InChIKeyBMNWLAGZNHMEGP-UHFFFAOYSA-N
MW205.05 g/mol
LogP2.47
Rot. Bonds1

About 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol

4-bromo-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 145346858) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-bromo-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID145346858
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name4-bromo-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)CCC(Br)=C1
InChIInChI=1S/C7H9BrO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3
InChIKeyBMNWLAGZNHMEGP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-6-bromo-3-methoxyhepta-1,3-dien-4-ol
CID 163655660
4,5-Dibromo-2-ethoxy-6-fluorocyclohexa-1,3-dien-1-ol
CID 68199633
4-Fluoro-2-methoxycyclohexa-1,3-dien-1-ol
CID 153377828
4-Fluoro-3-methoxycyclohexa-1,3-dien-1-ol
CID 166815640
2-Bromodihydroresorcinol methyl ether
CID 129807077
3-Methoxycyclohexa-1,3-dien-1-ol
CID 19786250
1-Bromo-2-methoxycyclohexa-1,3-diene
CID 20028694
1-Bromo-4-methoxycyclohexa-2,4-dien-1-ol
CID 22117468
5-Bromo-2,5-dimethoxycyclohexa-1,3-diene
CID 22706605
5-Bromo-3,5-Dimethoxy Benzene
CID 69741683
2-Methoxycyclohexa-1,3-dien-1-ol
CID 89082787
5-Bromo-1,3-dimethoxycyclohexa-1,3-diene
CID 123600138

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol (CID 145346858) is 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol is COC1=C(O)CCC(Br)=C1.
What is the InChIKey of 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is BMNWLAGZNHMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-10-7-4-5(8)2-3-6(7)9/h4,9H,2-3H2,1H3.
What are the key properties of 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol?
4-bromo-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 205.05 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 145346858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).