1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene

C18H16O — CID 102111194

IUPAC1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
SMILESCOc1ccc(C#C/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-19-18-14-12-17(13-15-18)11-7-3-6-10-16-8-4-2-5-9-16/h2-6,8-9,12-15H,10H2,1H3/b6-3+
InChIKeyLBMTXZBKFVICTJ-ZZXKWVIFSA-N
MW248.32 g/mol
LogP3.85
Rot. Bonds3

About 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene

1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene (PubChem CID 102111194) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
PubChem CID102111194
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene
SMILESCOc1ccc(C#C/C=C/Cc2ccccc2)cc1
InChIInChI=1S/C18H16O/c1-19-18-14-12-17(13-15-18)11-7-3-6-10-16-8-4-2-5-9-16/h2-6,8-9,12-15H,10H2,1H3/b6-3+
InChIKeyLBMTXZBKFVICTJ-ZZXKWVIFSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54570199
1-methoxy-4-[(Z)-4-methoxybut-3-en-1-ynyl]benzene
CID 10035380
1-methoxy-4-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
CID 11737150
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 10037064
trimethyl-[(Z)-5-phenylpent-2-en-4-ynyl]silane
CID 11356347
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 12660141
(3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-5-[(E)-4-phenylbut-1-en-3-ynyl]oxolan-3-ol
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CID 12029541
1-[(E)-3-(benzenesulfonyl)prop-2-enyl]-4-methoxybenzene
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CID 71336415

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene (CID 102111194) is 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene is COc1ccc(C#C/C=C/Cc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene?
The InChIKey is LBMTXZBKFVICTJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H16O/c1-19-18-14-12-17(13-15-18)11-7-3-6-10-16-8-4-2-5-9-16/h2-6,8-9,12-15H,10H2,1H3/b6-3+.
What are the key properties of 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene?
1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene has a molecular weight of 248.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-5-phenylpent-3-en-1-ynyl]benzene is sourced from PubChem (CID 102111194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).