CID 70015545

C23H31LiO3P — CID 70015545

IUPAC—
SMILESCOC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C23H31O3P.Li/c1-14-13-19(26-17(4)25-8)9-10-20(14)27-22(24)21-15(2)11-18(12-16(21)3)23(5,6)7;/h9-13,17,27H,1-8H3;
InChIKeyLMRBAWWLDRVUQN-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.04
Rot. Bonds6

About CID 70015545

CID 70015545 (PubChem CID 70015545) has the molecular formula C23H31LiO3P and a molecular weight of 393.41 g/mol.

Molecular Properties

Compound NameCID 70015545
PubChem CID70015545
Molecular FormulaC23H31LiO3P
Molecular Weight393.41 g/mol
Exact Mass393.22
IUPAC Name—
SMILESCOC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C23H31O3P.Li/c1-14-13-19(26-17(4)25-8)9-10-20(14)27-22(24)21-15(2)11-18(12-16(21)3)23(5,6)7;/h9-13,17,27H,1-8H3;
InChIKeyLMRBAWWLDRVUQN-UHFFFAOYSA-N
XLogP5.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
CID 70014778
CID 70014778
[2,6-bis(trifluoromethyl)phenyl]-[4-(1-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 173244485
CID 70014164
CID 70014164
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
CID 70014312
CID 70014312
CID 70016387
CID 70016387
CID 70016390
CID 70016390
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415

Frequently Asked Questions

What is the IUPAC name of CID 70015545?
The IUPAC name of CID 70015545 (CID 70015545) is not available.
What is the SMILES notation for CID 70015545?
The canonical SMILES for CID 70015545 is COC(C)Oc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li].
What is the InChIKey of CID 70015545?
The InChIKey is LMRBAWWLDRVUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O3P.Li/c1-14-13-19(26-17(4)25-8)9-10-20(14)27-22(24)21-15(2)11-18(12-16(21)3)23(5,6)7;/h9-13,17,27H,1-8H3;.
What are the key properties of CID 70015545?
CID 70015545 has a molecular weight of 393.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70015545 is sourced from PubChem (CID 70015545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).