4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol

C19H20O4 — CID 87643823

IUPAC4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/C=C/c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C19H20O4/c1-21-17-11-9-15(13-19(17)23-3)7-5-4-6-14-8-10-16(20)18(12-14)22-2/h4-13,20H,1-3H3/b6-4+,7-5+
InChIKeyQHTVMKSATYXVEP-YDFGWWAZSA-N
MW312.37 g/mol
LogP4.14
Rot. Bonds6

About 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol

4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol (PubChem CID 87643823) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
PubChem CID87643823
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/C=C/c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C19H20O4/c1-21-17-11-9-15(13-19(17)23-3)7-5-4-6-14-8-10-16(20)18(12-14)22-2/h4-13,20H,1-3H3/b6-4+,7-5+
InChIKeyQHTVMKSATYXVEP-YDFGWWAZSA-N
XLogP4.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
methyl (2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 152502233
methyl (2Z,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoate
CID 166068269
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
(2E,4E)-5-(3,4-dimethoxyphenyl)penta-2,4-dienal
CID 12514233
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol?
The IUPAC name of 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol (CID 87643823) is 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol is COc1cc(/C=C/C=C/c2ccc(OC)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol?
The InChIKey is QHTVMKSATYXVEP-YDFGWWAZSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17-11-9-15(13-19(17)23-3)7-5-4-6-14-8-10-16(20)18(12-14)22-2/h4-13,20H,1-3H3/b6-4+,7-5+.
What are the key properties of 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol?
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol has a molecular weight of 312.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol is sourced from PubChem (CID 87643823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).