1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene

C17H16O — CID 4560156

IUPAC1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
SMILESCOc1ccc(C=CC=Cc2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-14H,1H3
InChIKeySFIQYOQIQVZENR-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.42
Rot. Bonds4

About 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene (PubChem CID 4560156) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
PubChem CID4560156
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
SMILESCOc1ccc(C=CC=Cc2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-14H,1H3
InChIKeySFIQYOQIQVZENR-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
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-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
(3E,5E)-6-(4-methoxyphenyl)hexa-1,3,5-trien-2-ol
CID 89171740
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(E)-3-(4-methoxyphenyl)-N-phenylprop-2-en-1-imine oxide
CID 14687590
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene?
The IUPAC name of 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene (CID 4560156) is 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene.
What is the SMILES notation for 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene?
The canonical SMILES for 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene is COc1ccc(C=CC=Cc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene?
The InChIKey is SFIQYOQIQVZENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-18-17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene?
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene has a molecular weight of 236.31 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene is sourced from PubChem (CID 4560156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).