2,4-dibenzylpenta-1,4-dien-3-ol

C19H20O — CID 102034029

IUPAC2,4-dibenzylpenta-1,4-dien-3-ol
SMILESC=C(Cc1ccccc1)C(O)C(=C)Cc1ccccc1
InChIInChI=1S/C19H20O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h3-12,19-20H,1-2,13-14H2
InChIKeyWDJGNFQMLMDSQB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.95
Rot. Bonds6

About 2,4-dibenzylpenta-1,4-dien-3-ol

2,4-dibenzylpenta-1,4-dien-3-ol (PubChem CID 102034029) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,4-dibenzylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name2,4-dibenzylpenta-1,4-dien-3-ol
PubChem CID102034029
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2,4-dibenzylpenta-1,4-dien-3-ol
SMILESC=C(Cc1ccccc1)C(O)C(=C)Cc1ccccc1
InChIInChI=1S/C19H20O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h3-12,19-20H,1-2,13-14H2
InChIKeyWDJGNFQMLMDSQB-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.95
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-dibenzylpenta-1,4-dien-3-ol?
The IUPAC name of 2,4-dibenzylpenta-1,4-dien-3-ol (CID 102034029) is 2,4-dibenzylpenta-1,4-dien-3-ol.
What is the SMILES notation for 2,4-dibenzylpenta-1,4-dien-3-ol?
The canonical SMILES for 2,4-dibenzylpenta-1,4-dien-3-ol is C=C(Cc1ccccc1)C(O)C(=C)Cc1ccccc1.
What is the InChIKey of 2,4-dibenzylpenta-1,4-dien-3-ol?
The InChIKey is WDJGNFQMLMDSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h3-12,19-20H,1-2,13-14H2.
What are the key properties of 2,4-dibenzylpenta-1,4-dien-3-ol?
2,4-dibenzylpenta-1,4-dien-3-ol has a molecular weight of 264.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzylpenta-1,4-dien-3-ol is sourced from PubChem (CID 102034029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).