(E)-5-(4-bromophenyl)pent-4-en-1-ol

C11H13BrO — CID 125476548

IUPAC(E)-5-(4-bromophenyl)pent-4-en-1-ol
SMILESOCCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h2,4-8,13H,1,3,9H2/b4-2+
InChIKeyJTDJHEJRQZRYFN-DUXPYHPUSA-N
MW241.13 g/mol
LogP3.23
Rot. Bonds4

About (E)-5-(4-bromophenyl)pent-4-en-1-ol

(E)-5-(4-bromophenyl)pent-4-en-1-ol (PubChem CID 125476548) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is (E)-5-(4-bromophenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-(4-bromophenyl)pent-4-en-1-ol
PubChem CID125476548
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name(E)-5-(4-bromophenyl)pent-4-en-1-ol
SMILESOCCC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h2,4-8,13H,1,3,9H2/b4-2+
InChIKeyJTDJHEJRQZRYFN-DUXPYHPUSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-bromophenyl)pent-4-en-1-ol?
The IUPAC name of (E)-5-(4-bromophenyl)pent-4-en-1-ol (CID 125476548) is (E)-5-(4-bromophenyl)pent-4-en-1-ol.
What is the SMILES notation for (E)-5-(4-bromophenyl)pent-4-en-1-ol?
The canonical SMILES for (E)-5-(4-bromophenyl)pent-4-en-1-ol is OCCC/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-5-(4-bromophenyl)pent-4-en-1-ol?
The InChIKey is JTDJHEJRQZRYFN-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H13BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h2,4-8,13H,1,3,9H2/b4-2+.
What are the key properties of (E)-5-(4-bromophenyl)pent-4-en-1-ol?
(E)-5-(4-bromophenyl)pent-4-en-1-ol has a molecular weight of 241.13 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-bromophenyl)pent-4-en-1-ol is sourced from PubChem (CID 125476548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).