1-bromo-4-(1-methoxyprop-1-enyl)benzene

C10H11BrO — CID 131859636

IUPAC1-bromo-4-(1-methoxyprop-1-enyl)benzene
SMILESCC=C(OC)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3-7H,1-2H3
InChIKeySCFCEMAAYMMZGX-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.46
Rot. Bonds2

About 1-bromo-4-(1-methoxyprop-1-enyl)benzene

1-bromo-4-(1-methoxyprop-1-enyl)benzene (PubChem CID 131859636) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-4-(1-methoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-methoxyprop-1-enyl)benzene
PubChem CID131859636
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-4-(1-methoxyprop-1-enyl)benzene
SMILESCC=C(OC)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3-7H,1-2H3
InChIKeySCFCEMAAYMMZGX-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-methoxyprop-1-enyl)benzene?
The IUPAC name of 1-bromo-4-(1-methoxyprop-1-enyl)benzene (CID 131859636) is 1-bromo-4-(1-methoxyprop-1-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-methoxyprop-1-enyl)benzene?
The canonical SMILES for 1-bromo-4-(1-methoxyprop-1-enyl)benzene is CC=C(OC)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-methoxyprop-1-enyl)benzene?
The InChIKey is SCFCEMAAYMMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-3-10(12-2)8-4-6-9(11)7-5-8/h3-7H,1-2H3.
What are the key properties of 1-bromo-4-(1-methoxyprop-1-enyl)benzene?
1-bromo-4-(1-methoxyprop-1-enyl)benzene has a molecular weight of 227.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-methoxyprop-1-enyl)benzene is sourced from PubChem (CID 131859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).