2-(4-bromophenyl)penta-3,4-dien-2-ol

C11H11BrO — CID 13328623

IUPAC2-(4-bromophenyl)penta-3,4-dien-2-ol
SMILESC=C=CC(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-8,13H,1H2,2H3
InChIKeyOSOBUDOVGOPFPP-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.00
Rot. Bonds2

About 2-(4-bromophenyl)penta-3,4-dien-2-ol

2-(4-bromophenyl)penta-3,4-dien-2-ol (PubChem CID 13328623) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)penta-3,4-dien-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)penta-3,4-dien-2-ol
PubChem CID13328623
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name2-(4-bromophenyl)penta-3,4-dien-2-ol
SMILESC=C=CC(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-8,13H,1H2,2H3
InChIKeyOSOBUDOVGOPFPP-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)penta-3,4-dien-2-ol?
The IUPAC name of 2-(4-bromophenyl)penta-3,4-dien-2-ol (CID 13328623) is 2-(4-bromophenyl)penta-3,4-dien-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)penta-3,4-dien-2-ol?
The canonical SMILES for 2-(4-bromophenyl)penta-3,4-dien-2-ol is C=C=CC(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)penta-3,4-dien-2-ol?
The InChIKey is OSOBUDOVGOPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-8,13H,1H2,2H3.
What are the key properties of 2-(4-bromophenyl)penta-3,4-dien-2-ol?
2-(4-bromophenyl)penta-3,4-dien-2-ol has a molecular weight of 239.11 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)penta-3,4-dien-2-ol is sourced from PubChem (CID 13328623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).