8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one

C25H28O2 — CID 87409349

IUPAC8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCC(C)=CCC/C(C)=C/Cc1cccc2c1OC(c1ccccc1)CC2=O
InChIInChI=1S/C25H28O2/c1-18(2)9-7-10-19(3)15-16-21-13-8-14-22-23(26)17-24(27-25(21)22)20-11-5-4-6-12-20/h4-6,8-9,11-15,24H,7,10,16-17H2,1-3H3/b19-15+
InChIKeyPZQIUZXFLFHCPP-XDJHFCHBSA-N
MW360.50 g/mol
LogP6.63
Rot. Bonds6

About 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one

8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 87409349) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID87409349
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCC(C)=CCC/C(C)=C/Cc1cccc2c1OC(c1ccccc1)CC2=O
InChIInChI=1S/C25H28O2/c1-18(2)9-7-10-19(3)15-16-21-13-8-14-22-23(26)17-24(27-25(21)22)20-11-5-4-6-12-20/h4-6,8-9,11-15,24H,7,10,16-17H2,1-3H3/b19-15+
InChIKeyPZQIUZXFLFHCPP-XDJHFCHBSA-N
XLogP6.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 24829257
(2S)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162844838
(2S)-2-(2,4-dihydroxyphenyl)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2,3-dihydrochromen-4-one
CID 86765297
(E)-4-[2-(4-bromonaphthalen-1-yl)-4-oxo-2,3-dihydrochromen-8-yl]-2-methylbut-2-enoic acid
CID 177379954
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
(2R)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-6,8-dihydroxy-2,3-dihydrochromen-4-one
CID 66839861
(2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 101480805
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)isoindole-1,3-dione
CID 68508915
(2R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methoxy-8-methyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 155537241
6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 54494857
2-[3-(3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 72954473

Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one (CID 87409349) is 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one is CC(C)=CCC/C(C)=C/Cc1cccc2c1OC(c1ccccc1)CC2=O.
What is the InChIKey of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is PZQIUZXFLFHCPP-XDJHFCHBSA-N. The full InChI is InChI=1S/C25H28O2/c1-18(2)9-7-10-19(3)15-16-21-13-8-14-22-23(26)17-24(27-25(21)22)20-11-5-4-6-12-20/h4-6,8-9,11-15,24H,7,10,16-17H2,1-3H3/b19-15+.
What are the key properties of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one?
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 360.50 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 87409349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).