2-bromoprop-2-enoxymethylbenzene

C10H11BrO — CID 10857167

IUPAC2-bromoprop-2-enoxymethylbenzene
SMILESC=C(Br)COCc1ccccc1
InChIInChI=1S/C10H11BrO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyYPJSJNSGRGVCTJ-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.11
Rot. Bonds4

About 2-bromoprop-2-enoxymethylbenzene

2-bromoprop-2-enoxymethylbenzene (PubChem CID 10857167) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromoprop-2-enoxymethylbenzene.

Molecular Properties

Compound Name2-bromoprop-2-enoxymethylbenzene
PubChem CID10857167
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromoprop-2-enoxymethylbenzene
SMILESC=C(Br)COCc1ccccc1
InChIInChI=1S/C10H11BrO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyYPJSJNSGRGVCTJ-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enoxymethylbenzene?
The IUPAC name of 2-bromoprop-2-enoxymethylbenzene (CID 10857167) is 2-bromoprop-2-enoxymethylbenzene.
What is the SMILES notation for 2-bromoprop-2-enoxymethylbenzene?
The canonical SMILES for 2-bromoprop-2-enoxymethylbenzene is C=C(Br)COCc1ccccc1.
What is the InChIKey of 2-bromoprop-2-enoxymethylbenzene?
The InChIKey is YPJSJNSGRGVCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2.
What are the key properties of 2-bromoprop-2-enoxymethylbenzene?
2-bromoprop-2-enoxymethylbenzene has a molecular weight of 227.10 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enoxymethylbenzene is sourced from PubChem (CID 10857167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).