1-pent-2-ynoxy-4-phenylbenzene

C17H16O — CID 59780116

IUPAC1-pent-2-ynoxy-4-phenylbenzene
SMILESCCC#CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2,14H2,1H3
InChIKeyLQVNLFVFUNZTAA-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.15
Rot. Bonds3

About 1-pent-2-ynoxy-4-phenylbenzene

1-pent-2-ynoxy-4-phenylbenzene (PubChem CID 59780116) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-pent-2-ynoxy-4-phenylbenzene.

Molecular Properties

Compound Name1-pent-2-ynoxy-4-phenylbenzene
PubChem CID59780116
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-pent-2-ynoxy-4-phenylbenzene
SMILESCCC#CCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2,14H2,1H3
InChIKeyLQVNLFVFUNZTAA-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pent-2-ynoxy-4-phenylbenzene?
The IUPAC name of 1-pent-2-ynoxy-4-phenylbenzene (CID 59780116) is 1-pent-2-ynoxy-4-phenylbenzene.
What is the SMILES notation for 1-pent-2-ynoxy-4-phenylbenzene?
The canonical SMILES for 1-pent-2-ynoxy-4-phenylbenzene is CCC#CCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-pent-2-ynoxy-4-phenylbenzene?
The InChIKey is LQVNLFVFUNZTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-3-7-14-18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13H,2,14H2,1H3.
What are the key properties of 1-pent-2-ynoxy-4-phenylbenzene?
1-pent-2-ynoxy-4-phenylbenzene has a molecular weight of 236.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-2-ynoxy-4-phenylbenzene is sourced from PubChem (CID 59780116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).