[buta-2,3-dienoxy(diphenyl)methyl]benzene

C23H20O — CID 102150346

IUPAC[buta-2,3-dienoxy(diphenyl)methyl]benzene
SMILESC=C=CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O/c1-2-3-19-24-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-18H,1,19H2
InChIKeyOTUVLNKJLPFNEG-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.34
Rot. Bonds6

About [buta-2,3-dienoxy(diphenyl)methyl]benzene

[buta-2,3-dienoxy(diphenyl)methyl]benzene (PubChem CID 102150346) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is [buta-2,3-dienoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[buta-2,3-dienoxy(diphenyl)methyl]benzene
PubChem CID102150346
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name[buta-2,3-dienoxy(diphenyl)methyl]benzene
SMILESC=C=CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20O/c1-2-3-19-24-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-18H,1,19H2
InChIKeyOTUVLNKJLPFNEG-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

buta-2,3-dienoxymethylbenzene
CID 15393691
trityloxymethanamine
CID 59526425
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
2-buta-2,3-dienoxy-1-phenylethanone
CID 86015385
3-trityloxypropanal
CID 571223
buta-2,3-dienylsulfanylmethylbenzene
CID 13027993
1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
[methyl(trityloxymethyl)phosphoryl]methanol
CID 11877002
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
(1E,3S,4E)-1-iodo-2-methyl-6-trityloxyhexa-1,4-dien-3-ol
CID 102467334
1,5-ditrityloxypentan-3-ol
CID 140507927
[2-(octadecoxymethyl)prop-2-enoxy-diphenylmethyl]benzene
CID 168831330

Frequently Asked Questions

What is the IUPAC name of [buta-2,3-dienoxy(diphenyl)methyl]benzene?
The IUPAC name of [buta-2,3-dienoxy(diphenyl)methyl]benzene (CID 102150346) is [buta-2,3-dienoxy(diphenyl)methyl]benzene.
What is the SMILES notation for [buta-2,3-dienoxy(diphenyl)methyl]benzene?
The canonical SMILES for [buta-2,3-dienoxy(diphenyl)methyl]benzene is C=C=CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [buta-2,3-dienoxy(diphenyl)methyl]benzene?
The InChIKey is OTUVLNKJLPFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-2-3-19-24-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-18H,1,19H2.
What are the key properties of [buta-2,3-dienoxy(diphenyl)methyl]benzene?
[buta-2,3-dienoxy(diphenyl)methyl]benzene has a molecular weight of 312.41 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [buta-2,3-dienoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 102150346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).