4-(4-bromophenyl)but-2-en-1-ol

C10H11BrO — CID 175247472

IUPAC4-(4-bromophenyl)but-2-en-1-ol
SMILESOCC=CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-7,12H,3,8H2
InChIKeyUYODMTLPZUVRIT-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.54
Rot. Bonds3

About 4-(4-bromophenyl)but-2-en-1-ol

4-(4-bromophenyl)but-2-en-1-ol (PubChem CID 175247472) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-(4-bromophenyl)but-2-en-1-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)but-2-en-1-ol
PubChem CID175247472
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name4-(4-bromophenyl)but-2-en-1-ol
SMILESOCC=CCc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-7,12H,3,8H2
InChIKeyUYODMTLPZUVRIT-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)but-2-en-1-ol?
The IUPAC name of 4-(4-bromophenyl)but-2-en-1-ol (CID 175247472) is 4-(4-bromophenyl)but-2-en-1-ol.
What is the SMILES notation for 4-(4-bromophenyl)but-2-en-1-ol?
The canonical SMILES for 4-(4-bromophenyl)but-2-en-1-ol is OCC=CCc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)but-2-en-1-ol?
The InChIKey is UYODMTLPZUVRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-10-6-4-9(5-7-10)3-1-2-8-12/h1-2,4-7,12H,3,8H2.
What are the key properties of 4-(4-bromophenyl)but-2-en-1-ol?
4-(4-bromophenyl)but-2-en-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)but-2-en-1-ol is sourced from PubChem (CID 175247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).