1-benzhydryl-3-hexa-1,3-dienoxybenzene

C25H24O — CID 54283421

IUPAC1-benzhydryl-3-hexa-1,3-dienoxybenzene
SMILESCCC=CC=COc1cccc(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24O/c1-2-3-4-11-19-26-24-18-12-17-23(20-24)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h3-20,25H,2H2,1H3
InChIKeyHBNOVINUBXUGJX-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.73
Rot. Bonds7

About 1-benzhydryl-3-hexa-1,3-dienoxybenzene

1-benzhydryl-3-hexa-1,3-dienoxybenzene (PubChem CID 54283421) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-benzhydryl-3-hexa-1,3-dienoxybenzene.

Molecular Properties

Compound Name1-benzhydryl-3-hexa-1,3-dienoxybenzene
PubChem CID54283421
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name1-benzhydryl-3-hexa-1,3-dienoxybenzene
SMILESCCC=CC=COc1cccc(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H24O/c1-2-3-4-11-19-26-24-18-12-17-23(20-24)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h3-20,25H,2H2,1H3
InChIKeyHBNOVINUBXUGJX-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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1-but-1-enoxy-4-(1,2,2-triphenylethenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-hexa-1,3-dienoxybenzene?
The IUPAC name of 1-benzhydryl-3-hexa-1,3-dienoxybenzene (CID 54283421) is 1-benzhydryl-3-hexa-1,3-dienoxybenzene.
What is the SMILES notation for 1-benzhydryl-3-hexa-1,3-dienoxybenzene?
The canonical SMILES for 1-benzhydryl-3-hexa-1,3-dienoxybenzene is CCC=CC=COc1cccc(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-3-hexa-1,3-dienoxybenzene?
The InChIKey is HBNOVINUBXUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/c1-2-3-4-11-19-26-24-18-12-17-23(20-24)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h3-20,25H,2H2,1H3.
What are the key properties of 1-benzhydryl-3-hexa-1,3-dienoxybenzene?
1-benzhydryl-3-hexa-1,3-dienoxybenzene has a molecular weight of 340.47 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-hexa-1,3-dienoxybenzene is sourced from PubChem (CID 54283421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).