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

C24H33NO — CID 144927499

IUPACethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(C)(O)Cc1ccc(-c2ccccc2)cn1.CC.CC
InChIInChI=1S/C20H21NO.2C2H6/c1-4-9-18(5-2)20(3,22)14-19-13-12-17(15-21-19)16-10-7-6-8-11-16;2*1-2/h4-13,15,22H,1-2,14H2,3H3;2*1-2H3/b18-9+;;
InChIKeyCJDXFSASYRHGLD-IFJQNBRBSA-N
MW351.53 g/mol
LogP6.39
Rot. Bonds6

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

ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol (PubChem CID 144927499) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol.

Molecular Properties

Compound Nameethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
PubChem CID144927499
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Nameethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol
SMILESC=C/C=C(\C=C)C(C)(O)Cc1ccc(-c2ccccc2)cn1.CC.CC
InChIInChI=1S/C20H21NO.2C2H6/c1-4-9-18(5-2)20(3,22)14-19-13-12-17(15-21-19)16-10-7-6-8-11-16;2*1-2/h4-13,15,22H,1-2,14H2,3H3;2*1-2H3/b18-9+;;
InChIKeyCJDXFSASYRHGLD-IFJQNBRBSA-N
XLogP6.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.39
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

2-methyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 115009058
(2R,3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)-2-(tetrazol-1-ylmethyl)hexa-3,5-dien-2-ol
CID 139469189
2-phenyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 129158773
ethane;(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol;methane
CID 144927453
(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
CID 144927496
(2S,3E,5Z)-3-ethenyl-1-(5-phenyl-2-pyridinyl)-2-(tetrazol-1-ylmethyl)hepta-3,5-dien-2-ol
CID 129163955
ethane;ethene;(E)-3-ethenyl-2-[(5-phenyl-2-pyridinyl)methyl]pent-3-enenitrile
CID 144927624
(E)-5-amino-3-ethenyl-1-(5-phenyl-2-pyridinyl)pent-3-en-2-one
CID 144927456
ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
CID 144927641
2-(2-methoxyethyl)-5-phenylpyridine
CID 71056854
[5-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 139170729
1-phenyl-2-(5-phenyl-2-pyridinyl)ethanol
CID 144927462

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The IUPAC name of ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol (CID 144927499) is ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol.
What is the SMILES notation for ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The canonical SMILES for ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol is C=C/C=C(\C=C)C(C)(O)Cc1ccc(-c2ccccc2)cn1.CC.CC.
What is the InChIKey of ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol?
The InChIKey is CJDXFSASYRHGLD-IFJQNBRBSA-N. The full InChI is InChI=1S/C20H21NO.2C2H6/c1-4-9-18(5-2)20(3,22)14-19-13-12-17(15-21-19)16-10-7-6-8-11-16;2*1-2/h4-13,15,22H,1-2,14H2,3H3;2*1-2H3/b18-9+;;.
What are the key properties of ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol?
ethane;(3E)-3-ethenyl-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol has a molecular weight of 351.53 g/mol, XLogP of 6.39, 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-2-methyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-ol is sourced from PubChem (CID 144927499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).