1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene

C18H16O2 — CID 11737150

IUPAC1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
SMILESCOc1ccc(C#C/C=C\c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16O2/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16/h3,5,7-14H,1-2H3/b5-3-
InChIKeyZXJWFXWCDJZTRS-HYXAFXHYSA-N
MW264.32 g/mol
LogP3.77
Rot. Bonds3

About 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene

1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene (PubChem CID 11737150) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
PubChem CID11737150
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
SMILESCOc1ccc(C#C/C=C\c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16O2/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16/h3,5,7-14H,1-2H3/b5-3-
InChIKeyZXJWFXWCDJZTRS-HYXAFXHYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethoxy-5-[(Z)-4-(4-methoxyphenyl)but-3-en-1-ynyl]benzene
CID 11645512
1,2,3-trimethoxy-5-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
CID 11587853
1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
CID 10035380
1-decoxy-4-[(E)-4-(4-decoxyphenyl)but-1-en-3-ynyl]benzene
CID 101387982
1-ethyl-4-[6-(4-methoxyphenyl)hex-3-en-1,5-diynyl]benzene
CID 54570199
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
tert-butyl (E)-5-(4-methoxyphenyl)pent-2-en-4-ynoate
CID 102425561
methyl (E)-5-(4-methoxyphenyl)pent-4-en-2-ynoate
CID 132552263
1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
CID 102111194
1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
CID 102460200
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene (CID 11737150) is 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene is COc1ccc(C#C/C=C\c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene?
The InChIKey is ZXJWFXWCDJZTRS-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H16O2/c1-19-17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(20-2)14-10-16/h3,5,7-14H,1-2H3/b5-3-.
What are the key properties of 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene?
1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene has a molecular weight of 264.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene is sourced from PubChem (CID 11737150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).