1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene

C28H26O2 — CID 53491376

IUPAC1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
SMILESCOc1ccc(C=C/C=C/c2ccccc2/C=C/C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26O2/c1-29-27-19-15-23(16-20-27)9-3-5-11-25-13-7-8-14-26(25)12-6-4-10-24-17-21-28(30-2)22-18-24/h3-22H,1-2H3/b9-3?,10-4?,11-5+,12-6+
InChIKeySIMFOIWTSKANEW-XAYHOBPFSA-N
MW394.51 g/mol
LogP7.16
Rot. Bonds8

About 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene

1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene (PubChem CID 53491376) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
PubChem CID53491376
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
SMILESCOc1ccc(C=C/C=C/c2ccccc2/C=C/C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26O2/c1-29-27-19-15-23(16-20-27)9-3-5-11-25-13-7-8-14-26(25)12-6-4-10-24-17-21-28(30-2)22-18-24/h3-22H,1-2H3/b9-3?,10-4?,11-5+,12-6+
InChIKeySIMFOIWTSKANEW-XAYHOBPFSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
CID 87145440
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
(E)-3-methoxy-2-[2-[(3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]prop-2-enoic acid
CID 173241139
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
N-[(E)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]methylideneamino]methanamine
CID 53232180
1-methoxy-4-[(1E)-4-methylpenta-1,3-dienyl]benzene
CID 10965272
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
CID 89171740

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene (CID 53491376) is 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene is COc1ccc(C=C/C=C/c2ccccc2/C=C/C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene?
The InChIKey is SIMFOIWTSKANEW-XAYHOBPFSA-N. The full InChI is InChI=1S/C28H26O2/c1-29-27-19-15-23(16-20-27)9-3-5-11-25-13-7-8-14-26(25)12-6-4-10-24-17-21-28(30-2)22-18-24/h3-22H,1-2H3/b9-3?,10-4?,11-5+,12-6+.
What are the key properties of 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene?
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene has a molecular weight of 394.51 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 53491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).