4-bromo-2-methoxy-6-prop-2-enylphenol

C10H11BrO2 — CID 57407756

IUPAC4-bromo-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(Br)cc(OC)c1O
InChIInChI=1S/C10H11BrO2/c1-3-4-7-5-8(11)6-9(13-2)10(7)12/h3,5-6,12H,1,4H2,2H3
InChIKeyMUVHSMQYFKENTR-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.89
Rot. Bonds3

About 4-bromo-2-methoxy-6-prop-2-enylphenol

4-bromo-2-methoxy-6-prop-2-enylphenol (PubChem CID 57407756) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-prop-2-enylphenol
PubChem CID57407756
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-bromo-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(Br)cc(OC)c1O
InChIInChI=1S/C10H11BrO2/c1-3-4-7-5-8(11)6-9(13-2)10(7)12/h3,5-6,12H,1,4H2,2H3
InChIKeyMUVHSMQYFKENTR-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-prop-2-enylphenol?
The IUPAC name of 4-bromo-2-methoxy-6-prop-2-enylphenol (CID 57407756) is 4-bromo-2-methoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-bromo-2-methoxy-6-prop-2-enylphenol is C=CCc1cc(Br)cc(OC)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-prop-2-enylphenol?
The InChIKey is MUVHSMQYFKENTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-3-4-7-5-8(11)6-9(13-2)10(7)12/h3,5-6,12H,1,4H2,2H3.
What are the key properties of 4-bromo-2-methoxy-6-prop-2-enylphenol?
4-bromo-2-methoxy-6-prop-2-enylphenol has a molecular weight of 243.10 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-prop-2-enylphenol is sourced from PubChem (CID 57407756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).