2-(3-bromoprop-1-en-2-yl)phenol

C9H9BrO — CID 142533452

IUPAC2-(3-bromoprop-1-en-2-yl)phenol
SMILESC=C(CBr)c1ccccc1O
InChIInChI=1S/C9H9BrO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,11H,1,6H2
InChIKeySELWCWFWOPWGBE-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-bromoprop-1-en-2-yl)phenol

2-(3-bromoprop-1-en-2-yl)phenol (PubChem CID 142533452) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 2-(3-bromoprop-1-en-2-yl)phenol.

Molecular Properties

Compound Name2-(3-bromoprop-1-en-2-yl)phenol
PubChem CID142533452
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name2-(3-bromoprop-1-en-2-yl)phenol
SMILESC=C(CBr)c1ccccc1O
InChIInChI=1S/C9H9BrO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,11H,1,6H2
InChIKeySELWCWFWOPWGBE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
[2-(3-bromoprop-1-en-2-yl)phenyl]methanesulfonamide
CID 118140975
2-[C-(bromomethyl)-N-hydroxycarbonimidoyl]phenol
CID 5154679
1-(3-bromoprop-1-en-2-yl)indolizine
CID 169203383
2-(1-iodoethenyl)phenol
CID 88963209
actinium;2-prop-1-en-2-ylphenol
CID 20669246
3-bromoprop-1-en-2-ylbenzene;3-chloroprop-1-en-2-ylbenzene
CID 70464335
3-(2-hydroxyphenyl)but-3-en-2-one
CID 15090741
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
2-penta-1,3-dien-2-ylphenol
CID 123148511
2-but-1-en-2-ylaniline
CID 10582919
1,1-dichloroethene;2-hydroxybenzamide
CID 174296384

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-en-2-yl)phenol?
The IUPAC name of 2-(3-bromoprop-1-en-2-yl)phenol (CID 142533452) is 2-(3-bromoprop-1-en-2-yl)phenol.
What is the SMILES notation for 2-(3-bromoprop-1-en-2-yl)phenol?
The canonical SMILES for 2-(3-bromoprop-1-en-2-yl)phenol is C=C(CBr)c1ccccc1O.
What is the InChIKey of 2-(3-bromoprop-1-en-2-yl)phenol?
The InChIKey is SELWCWFWOPWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,11H,1,6H2.
What are the key properties of 2-(3-bromoprop-1-en-2-yl)phenol?
2-(3-bromoprop-1-en-2-yl)phenol has a molecular weight of 213.07 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-en-2-yl)phenol is sourced from PubChem (CID 142533452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).