[diphenyl(prop-2-ynoxy)methyl]benzene

C22H18O — CID 10469980

IUPAC[diphenyl(prop-2-ynoxy)methyl]benzene
SMILESC#CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2
InChIKeyMPVHPJWPRAIWCW-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.63
Rot. Bonds5

About [diphenyl(prop-2-ynoxy)methyl]benzene

[diphenyl(prop-2-ynoxy)methyl]benzene (PubChem CID 10469980) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is [diphenyl(prop-2-ynoxy)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(prop-2-ynoxy)methyl]benzene
PubChem CID10469980
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name[diphenyl(prop-2-ynoxy)methyl]benzene
SMILESC#CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2
InChIKeyMPVHPJWPRAIWCW-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphenyl(prop-2-ynoxy)methyl]benzene?
The IUPAC name of [diphenyl(prop-2-ynoxy)methyl]benzene (CID 10469980) is [diphenyl(prop-2-ynoxy)methyl]benzene.
What is the SMILES notation for [diphenyl(prop-2-ynoxy)methyl]benzene?
The canonical SMILES for [diphenyl(prop-2-ynoxy)methyl]benzene is C#CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(prop-2-ynoxy)methyl]benzene?
The InChIKey is MPVHPJWPRAIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-2-18-23-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h1,3-17H,18H2.
What are the key properties of [diphenyl(prop-2-ynoxy)methyl]benzene?
[diphenyl(prop-2-ynoxy)methyl]benzene has a molecular weight of 298.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(prop-2-ynoxy)methyl]benzene is sourced from PubChem (CID 10469980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).