lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C31H31LiO3P+ — CID 18514044

IUPAClithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1C.[Li+]
InChIInChI=1S/C31H31O3P.Li/c1-21-17-22(2)30(24(4)23(21)3)31(32)35-29-16-15-27(33-19-25-11-7-5-8-12-25)18-28(29)34-20-26-13-9-6-10-14-26;/h5-18,35H,19-20H2,1-4H3;/q;+1
InChIKeyZCOYVRKJUSTJQJ-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.23
Rot. Bonds9

About lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18514044) has the molecular formula C31H31LiO3P+ and a molecular weight of 489.50 g/mol. Its IUPAC name is lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namelithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18514044
Molecular FormulaC31H31LiO3P+
Molecular Weight489.50 g/mol
Exact Mass489.22
IUPAC Namelithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1C.[Li+]
InChIInChI=1S/C31H31O3P.Li/c1-21-17-22(2)30(24(4)23(21)3)31(32)35-29-16-15-27(33-19-25-11-7-5-8-12-25)18-28(29)34-20-26-13-9-6-10-14-26;/h5-18,35H,19-20H2,1-4H3;/q;+1
InChIKeyZCOYVRKJUSTJQJ-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
CID 70012742
CID 70012742
CID 70016387
CID 70016387
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
CID 141015872
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 18514044) is lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is Cc1cc(C)c(C(=O)Pc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1C.[Li+].
What is the InChIKey of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is ZCOYVRKJUSTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31O3P.Li/c1-21-17-22(2)30(24(4)23(21)3)31(32)35-29-16-15-27(33-19-25-11-7-5-8-12-25)18-28(29)34-20-26-13-9-6-10-14-26;/h5-18,35H,19-20H2,1-4H3;/q;+1.
What are the key properties of lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 489.50 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18514044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).