1-(bromomethoxy)-4-prop-2-enoxybenzene

C10H11BrO2 — CID 23452925

IUPAC1-(bromomethoxy)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCBr)cc1
InChIInChI=1S/C10H11BrO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2-6H,1,7-8H2
InChIKeyAQGSPICRRLYVSY-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.98
Rot. Bonds5

About 1-(bromomethoxy)-4-prop-2-enoxybenzene

1-(bromomethoxy)-4-prop-2-enoxybenzene (PubChem CID 23452925) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(bromomethoxy)-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(bromomethoxy)-4-prop-2-enoxybenzene
PubChem CID23452925
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(bromomethoxy)-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OCBr)cc1
InChIInChI=1S/C10H11BrO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2-6H,1,7-8H2
InChIKeyAQGSPICRRLYVSY-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
CID 174846151
CID 174846151
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
CID 59168518
1-ethynyl-4-(4-prop-2-enoxyphenyl)benzene
CID 160738690
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-4-prop-2-enoxybenzene?
The IUPAC name of 1-(bromomethoxy)-4-prop-2-enoxybenzene (CID 23452925) is 1-(bromomethoxy)-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-(bromomethoxy)-4-prop-2-enoxybenzene?
The canonical SMILES for 1-(bromomethoxy)-4-prop-2-enoxybenzene is C=CCOc1ccc(OCBr)cc1.
What is the InChIKey of 1-(bromomethoxy)-4-prop-2-enoxybenzene?
The InChIKey is AQGSPICRRLYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-2-7-12-9-3-5-10(6-4-9)13-8-11/h2-6H,1,7-8H2.
What are the key properties of 1-(bromomethoxy)-4-prop-2-enoxybenzene?
1-(bromomethoxy)-4-prop-2-enoxybenzene has a molecular weight of 243.10 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-4-prop-2-enoxybenzene is sourced from PubChem (CID 23452925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).