4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate

C24H23NO2 — CID 142376976

IUPAC4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C24H23NO2/c1-2-24(26)27-18-4-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-25-17-15-23/h2,6-17H,1,3-5,18H2
InChIKeyLAMXGSCSDDILAV-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.47
Rot. Bonds8

About 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate

4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate (PubChem CID 142376976) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
PubChem CID142376976
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C24H23NO2/c1-2-24(26)27-18-4-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-25-17-15-23/h2,6-17H,1,3-5,18H2
InChIKeyLAMXGSCSDDILAV-UHFFFAOYSA-N
XLogP5.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
6-[4-[5-[4-(4-pentylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]hexyl prop-2-enoate
CID 87610857
4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
CID 11087244
[4-[6-[4-[4-[[4-(6-prop-2-enoyloxyhexoxy)phenoxy]methoxy]phenyl]phenoxy]hexoxycarbonyl]phenyl] 4-(6-prop-2-enoyloxyhexyl)benzoate
CID 20724288
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-[3-[5-[4-(4-pentylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-(5-prop-2-enoyloxypentoxy)phenoxy]hexyl prop-2-enoate
CID 143836743
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
3-[4-[4-(3-buta-1,3-dien-2-yloxypropyl)-N-(4-phenylphenyl)anilino]phenyl]propyl prop-2-enoate
CID 170284469

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate?
The IUPAC name of 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate (CID 142376976) is 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate.
What is the SMILES notation for 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate?
The canonical SMILES for 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate is C=CC(=O)OCCCCc1ccc(-c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate?
The InChIKey is LAMXGSCSDDILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-2-24(26)27-18-4-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-25-17-15-23/h2,6-17H,1,3-5,18H2.
What are the key properties of 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate?
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate is sourced from PubChem (CID 142376976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).