1-bromo-2-prop-1-en-2-yloxybenzene

C9H9BrO — CID 156775393

IUPAC1-bromo-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccccc1Br
InChIInChI=1S/C9H9BrO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,1H2,2H3
InChIKeyTWYLWHWCIRSXSW-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.36
Rot. Bonds2

About 1-bromo-2-prop-1-en-2-yloxybenzene

1-bromo-2-prop-1-en-2-yloxybenzene (PubChem CID 156775393) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-bromo-2-prop-1-en-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-2-prop-1-en-2-yloxybenzene
PubChem CID156775393
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name1-bromo-2-prop-1-en-2-yloxybenzene
SMILESC=C(C)Oc1ccccc1Br
InChIInChI=1S/C9H9BrO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,1H2,2H3
InChIKeyTWYLWHWCIRSXSW-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
(2-bromophenyl) 3-methylbutanoate
CID 121271794
1-bromo-2-methoxybenzene;ethane
CID 91096433
(2-bromophenyl) 4-hydroxypent-2-enoate
CID 174533443
tris(2-bromophenyl) phosphite
CID 54277872
4-(2-bromophenoxy)pentan-2-one
CID 64698957
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
1-bromo-2-[(2R)-but-3-en-2-yl]oxybenzene
CID 11644280
(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
(2-bromophenyl) N-(cyanomethyl)-N-methylcarbamate
CID 116819797

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-prop-1-en-2-yloxybenzene?
The IUPAC name of 1-bromo-2-prop-1-en-2-yloxybenzene (CID 156775393) is 1-bromo-2-prop-1-en-2-yloxybenzene.
What is the SMILES notation for 1-bromo-2-prop-1-en-2-yloxybenzene?
The canonical SMILES for 1-bromo-2-prop-1-en-2-yloxybenzene is C=C(C)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-prop-1-en-2-yloxybenzene?
The InChIKey is TWYLWHWCIRSXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-6H,1H2,2H3.
What are the key properties of 1-bromo-2-prop-1-en-2-yloxybenzene?
1-bromo-2-prop-1-en-2-yloxybenzene has a molecular weight of 213.07 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-prop-1-en-2-yloxybenzene is sourced from PubChem (CID 156775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).