lithium [but-3-enoxy(diphenyl)methyl]benzene

C23H21LiO — CID 172817739

IUPAClithium [but-3-enoxy(diphenyl)methyl]benzene
SMILES[H]/[C-]=C\CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H21O.Li/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;/h1-2,4-18H,3,19H2;/q-1;+1
InChIKeyUDMYAVPRXBSYQN-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.38
Rot. Bonds7

About lithium [but-3-enoxy(diphenyl)methyl]benzene

lithium [but-3-enoxy(diphenyl)methyl]benzene (PubChem CID 172817739) has the molecular formula C23H21LiO and a molecular weight of 320.36 g/mol. Its IUPAC name is lithium [but-3-enoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Namelithium [but-3-enoxy(diphenyl)methyl]benzene
PubChem CID172817739
Molecular FormulaC23H21LiO
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC Namelithium [but-3-enoxy(diphenyl)methyl]benzene
SMILES[H]/[C-]=C\CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H21O.Li/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;/h1-2,4-18H,3,19H2;/q-1;+1
InChIKeyUDMYAVPRXBSYQN-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

zinc;carbanide;[hex-5-enoxy(diphenyl)methyl]benzene
CID 134880393
3-trityloxypropanal
CID 571223
1,5-ditrityloxypentan-3-ol
CID 140507927
trityloxymethanamine
CID 59526425
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
CID 99938038
[2-dichlorophosphoryloxyethoxy(diphenyl)methyl]benzene
CID 88760724
1,4-ditrityloxybutan-2-ol
CID 13443283
3-hydroxy-5-trityloxypentanal
CID 85379091
(3S)-1-trityloxypentan-3-ol
CID 11163798
2-[(2-methylphenyl)-diphenylmethoxy]ethanamine
CID 67428096

Frequently Asked Questions

What is the IUPAC name of lithium [but-3-enoxy(diphenyl)methyl]benzene?
The IUPAC name of lithium [but-3-enoxy(diphenyl)methyl]benzene (CID 172817739) is lithium [but-3-enoxy(diphenyl)methyl]benzene.
What is the SMILES notation for lithium [but-3-enoxy(diphenyl)methyl]benzene?
The canonical SMILES for lithium [but-3-enoxy(diphenyl)methyl]benzene is [H]/[C-]=C\CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium [but-3-enoxy(diphenyl)methyl]benzene?
The InChIKey is UDMYAVPRXBSYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O.Li/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;/h1-2,4-18H,3,19H2;/q-1;+1.
What are the key properties of lithium [but-3-enoxy(diphenyl)methyl]benzene?
lithium [but-3-enoxy(diphenyl)methyl]benzene has a molecular weight of 320.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [but-3-enoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 172817739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).