ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane

C24H35NO — CID 144927453

IUPACethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
SMILESC.C=C/C=C(\C=C)C(O)Cc1ccc(-c2ccccc2)cn1.CC.CC
InChIInChI=1S/C19H19NO.2C2H6.CH4/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16;2*1-2;/h3-12,14,19,21H,1-2,13H2;2*1-2H3;1H4/b15-8+;;;
InChIKeyXUICQIVLDXUMAL-BAESOZIDSA-N
MW353.55 g/mol
LogP6.64
Rot. Bonds6

About ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane

ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane (PubChem CID 144927453) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane.

Molecular Properties

Compound Nameethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
PubChem CID144927453
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Nameethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
SMILESC.C=C/C=C(\C=C)C(O)Cc1ccc(-c2ccccc2)cn1.CC.CC
InChIInChI=1S/C19H19NO.2C2H6.CH4/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16;2*1-2;/h3-12,14,19,21H,1-2,13H2;2*1-2H3;1H4/b15-8+;;;
InChIKeyXUICQIVLDXUMAL-BAESOZIDSA-N
XLogP6.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927481
ethane;ethene;(E)-3-ethenyl-2-[(5-phenyl-2-pyridinyl)methyl]pent-3-enenitrile
CID 144927624
ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927499
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462
(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
CID 144927496
ethane;[(3E)-3-ethenylhexa-3,5-dien-2-yl]benzene;methane
CID 177324817
2-[(3E)-3-ethenyl-2-methylhexa-3,5-dienyl]-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]pyridine
CID 144927518
ethane;(3E)-3-ethenylhexa-3,5-diene-1,2-diol
CID 145139860
(2R,3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)-2-(tetrazol-1-ylmethyl)hexa-3,5-dien-2-ol
CID 139469189
2-methyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 115009058
2-phenyl-3-(5-phenyl-2-pyridinyl)propan-1-amine
CID 144927473
(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
CID 144927456

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane?
The IUPAC name of ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane (CID 144927453) is ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane.
What is the SMILES notation for ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane?
The canonical SMILES for ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane is C.C=C/C=C(\C=C)C(O)Cc1ccc(-c2ccccc2)cn1.CC.CC.
What is the InChIKey of ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane?
The InChIKey is XUICQIVLDXUMAL-BAESOZIDSA-N. The full InChI is InChI=1S/C19H19NO.2C2H6.CH4/c1-3-8-15(4-2)19(21)13-18-12-11-17(14-20-18)16-9-6-5-7-10-16;2*1-2;/h3-12,14,19,21H,1-2,13H2;2*1-2H3;1H4/b15-8+;;;.
What are the key properties of ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane?
ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane has a molecular weight of 353.55 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane is sourced from PubChem (CID 144927453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).