[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene

C25H24O2 — CID 12026980

IUPAC[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
SMILESC#CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C25H24O2/c1-3-13-24(26-2)20-27-25(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h1,4-12,14-19,24H,13,20H2,2H3/t24-/m0/s1
InChIKeyQJGAIKLDECLOPJ-DEOSSOPVSA-N
MW356.47 g/mol
LogP5.03
Rot. Bonds8

About [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene

[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene (PubChem CID 12026980) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
PubChem CID12026980
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene
SMILESC#CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C25H24O2/c1-3-13-24(26-2)20-27-25(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h1,4-12,14-19,24H,13,20H2,2H3/t24-/m0/s1
InChIKeyQJGAIKLDECLOPJ-DEOSSOPVSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene?
The IUPAC name of [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene (CID 12026980) is [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene.
What is the SMILES notation for [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene?
The canonical SMILES for [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene is C#CC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene?
The InChIKey is QJGAIKLDECLOPJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24O2/c1-3-13-24(26-2)20-27-25(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h1,4-12,14-19,24H,13,20H2,2H3/t24-/m0/s1.
What are the key properties of [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene?
[[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene has a molecular weight of 356.47 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-methoxypent-4-ynoxy]-diphenylmethyl]benzene is sourced from PubChem (CID 12026980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).