2-(4-bromophenyl)pent-4-en-2-ol

C11H13BrO — CID 11459122

IUPAC2-(4-bromophenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7,13H,1,8H2,2H3
InChIKeyNSJCWZRCICHXDA-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-bromophenyl)pent-4-en-2-ol

2-(4-bromophenyl)pent-4-en-2-ol (PubChem CID 11459122) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)pent-4-en-2-ol
PubChem CID11459122
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-(4-bromophenyl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7,13H,1,8H2,2H3
InChIKeyNSJCWZRCICHXDA-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.23
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 2-(4-bromophenyl)pent-4-en-2-ol?
The IUPAC name of 2-(4-bromophenyl)pent-4-en-2-ol (CID 11459122) is 2-(4-bromophenyl)pent-4-en-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)pent-4-en-2-ol?
The canonical SMILES for 2-(4-bromophenyl)pent-4-en-2-ol is C=CCC(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)pent-4-en-2-ol?
The InChIKey is NSJCWZRCICHXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h3-7,13H,1,8H2,2H3.
What are the key properties of 2-(4-bromophenyl)pent-4-en-2-ol?
2-(4-bromophenyl)pent-4-en-2-ol has a molecular weight of 241.13 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)pent-4-en-2-ol is sourced from PubChem (CID 11459122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).