3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol

C21H24O4 — CID 141206189

IUPAC3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/CCC/C=C/c2cccc(O)c2OC)cc1O
InChIInChI=1S/C21H24O4/c1-24-20-14-13-16(15-19(20)23)9-6-4-3-5-7-10-17-11-8-12-18(22)21(17)25-2/h6-15,22-23H,3-5H2,1-2H3/b9-6+,10-7+
InChIKeyGAULFUVGOWDPBO-KZZDLZNXSA-N
MW340.42 g/mol
LogP5.01
Rot. Bonds8

About 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol

3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol (PubChem CID 141206189) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol.

Molecular Properties

Compound Name3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol
PubChem CID141206189
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/CCC/C=C/c2cccc(O)c2OC)cc1O
InChIInChI=1S/C21H24O4/c1-24-20-14-13-16(15-19(20)23)9-6-4-3-5-7-10-17-11-8-12-18(22)21(17)25-2/h6-15,22-23H,3-5H2,1-2H3/b9-6+,10-7+
InChIKeyGAULFUVGOWDPBO-KZZDLZNXSA-N
XLogP5.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
5-but-1-enyl-2-methoxyphenol
CID 154188368
(1E,6E)-1-(2,3-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68547475
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
1-(2,6-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553890
4-[(1E,6E)-7-(9-ethylcarbazol-3-yl)hepta-1,6-dienyl]-2-methoxyphenol
CID 141206117
(1E,6E)-1,7-bis(3-hydroxy-2-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68550640
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol?
The IUPAC name of 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol (CID 141206189) is 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol.
What is the SMILES notation for 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol?
The canonical SMILES for 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol is COc1ccc(/C=C/CCC/C=C/c2cccc(O)c2OC)cc1O.
What is the InChIKey of 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol?
The InChIKey is GAULFUVGOWDPBO-KZZDLZNXSA-N. The full InChI is InChI=1S/C21H24O4/c1-24-20-14-13-16(15-19(20)23)9-6-4-3-5-7-10-17-11-8-12-18(22)21(17)25-2/h6-15,22-23H,3-5H2,1-2H3/b9-6+,10-7+.
What are the key properties of 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol?
3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol has a molecular weight of 340.42 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,6E)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-dienyl]-2-methoxyphenol is sourced from PubChem (CID 141206189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).