4-bromo-3-prop-2-enylphenol

C9H9BrO — CID 59860912

IUPAC4-bromo-3-prop-2-enylphenol
SMILESC=CCc1cc(O)ccc1Br
InChIInChI=1S/C9H9BrO/c1-2-3-7-6-8(11)4-5-9(7)10/h2,4-6,11H,1,3H2
InChIKeyAWWLYHLQDCPOOI-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-3-prop-2-enylphenol

4-bromo-3-prop-2-enylphenol (PubChem CID 59860912) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 4-bromo-3-prop-2-enylphenol.

Molecular Properties

Compound Name4-bromo-3-prop-2-enylphenol
PubChem CID59860912
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name4-bromo-3-prop-2-enylphenol
SMILESC=CCc1cc(O)ccc1Br
InChIInChI=1S/C9H9BrO/c1-2-3-7-6-8(11)4-5-9(7)10/h2,4-6,11H,1,3H2
InChIKeyAWWLYHLQDCPOOI-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.88
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-chloro-3-prop-2-enylphenol
CID 67612288
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
3-chloro-4-prop-2-enylphenol
CID 70565458
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-prop-2-enoxy-4-prop-2-enylphenol
CID 14888956
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
methyl 4-hydroxy-2-prop-2-enylbenzoate
CID 175570133
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
2,3-dibromo-4-prop-2-enylphenol
CID 139724573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-prop-2-enylphenol?
The IUPAC name of 4-bromo-3-prop-2-enylphenol (CID 59860912) is 4-bromo-3-prop-2-enylphenol.
What is the SMILES notation for 4-bromo-3-prop-2-enylphenol?
The canonical SMILES for 4-bromo-3-prop-2-enylphenol is C=CCc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-prop-2-enylphenol?
The InChIKey is AWWLYHLQDCPOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-2-3-7-6-8(11)4-5-9(7)10/h2,4-6,11H,1,3H2.
What are the key properties of 4-bromo-3-prop-2-enylphenol?
4-bromo-3-prop-2-enylphenol has a molecular weight of 213.07 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-prop-2-enylphenol is sourced from PubChem (CID 59860912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).