1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene

C18H16O2 — CID 102460200

IUPAC1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
SMILESCOc1ccc(C#C/C=C\COc2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-19-17-13-11-16(12-14-17)8-4-3-7-15-20-18-9-5-2-6-10-18/h2-3,5-7,9-14H,15H2,1H3/b7-3-
InChIKeyFFHKBVLFVUTPPD-CLTKARDFSA-N
MW264.32 g/mol
LogP3.68
Rot. Bonds4

About 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene

1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene (PubChem CID 102460200) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
PubChem CID102460200
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
SMILESCOc1ccc(C#C/C=C\COc2ccccc2)cc1
InChIInChI=1S/C18H16O2/c1-19-17-13-11-16(12-14-17)8-4-3-7-15-20-18-9-5-2-6-10-18/h2-3,5-7,9-14H,15H2,1H3/b7-3-
InChIKeyFFHKBVLFVUTPPD-CLTKARDFSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene (CID 102460200) is 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene is COc1ccc(C#C/C=C\COc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene?
The InChIKey is FFHKBVLFVUTPPD-CLTKARDFSA-N. The full InChI is InChI=1S/C18H16O2/c1-19-17-13-11-16(12-14-17)8-4-3-7-15-20-18-9-5-2-6-10-18/h2-3,5-7,9-14H,15H2,1H3/b7-3-.
What are the key properties of 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene?
1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene has a molecular weight of 264.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene is sourced from PubChem (CID 102460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).