4-bromo-5-methyl-2-prop-2-enylphenol

C10H11BrO — CID 142719301

IUPAC4-bromo-5-methyl-2-prop-2-enylphenol
SMILESC=CCc1cc(Br)c(C)cc1O
InChIInChI=1S/C10H11BrO/c1-3-4-8-6-9(11)7(2)5-10(8)12/h3,5-6,12H,1,4H2,2H3
InChIKeyUODDYCMYEFPUMI-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-5-methyl-2-prop-2-enylphenol

4-bromo-5-methyl-2-prop-2-enylphenol (PubChem CID 142719301) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-bromo-5-methyl-2-prop-2-enylphenol
PubChem CID142719301
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name4-bromo-5-methyl-2-prop-2-enylphenol
SMILESC=CCc1cc(Br)c(C)cc1O
InChIInChI=1S/C10H11BrO/c1-3-4-8-6-9(11)7(2)5-10(8)12/h3,5-6,12H,1,4H2,2H3
InChIKeyUODDYCMYEFPUMI-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
4-methyl-5-prop-2-enylbenzene-1,2-diol
CID 12635732
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
4-bromo-3-prop-2-enylphenol
CID 59860912
2-fluoro-3-methyl-6-prop-2-enylphenol
CID 107657766
2,3-dibromo-4-prop-2-enylphenol
CID 139724573
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
5-methoxy-2-prop-2-enylphenol
CID 6424515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-prop-2-enylphenol?
The IUPAC name of 4-bromo-5-methyl-2-prop-2-enylphenol (CID 142719301) is 4-bromo-5-methyl-2-prop-2-enylphenol.
What is the SMILES notation for 4-bromo-5-methyl-2-prop-2-enylphenol?
The canonical SMILES for 4-bromo-5-methyl-2-prop-2-enylphenol is C=CCc1cc(Br)c(C)cc1O.
What is the InChIKey of 4-bromo-5-methyl-2-prop-2-enylphenol?
The InChIKey is UODDYCMYEFPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-3-4-8-6-9(11)7(2)5-10(8)12/h3,5-6,12H,1,4H2,2H3.
What are the key properties of 4-bromo-5-methyl-2-prop-2-enylphenol?
4-bromo-5-methyl-2-prop-2-enylphenol has a molecular weight of 227.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-prop-2-enylphenol is sourced from PubChem (CID 142719301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).