CID 70014164

C24H33LiO2P — CID 70014164

IUPAC—
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C24H33O2P.Li/c1-8-9-12-26-20-10-11-21(16(2)15-20)27-23(25)22-17(3)13-19(14-18(22)4)24(5,6)7;/h10-11,13-15,27H,8-9,12H2,1-7H3;
InChIKeyXHDKTLDCYFRNHL-UHFFFAOYSA-N
MW391.44 g/mol
LogP5.85
Rot. Bonds7

About CID 70014164

CID 70014164 (PubChem CID 70014164) has the molecular formula C24H33LiO2P and a molecular weight of 391.44 g/mol.

Molecular Properties

Compound NameCID 70014164
PubChem CID70014164
Molecular FormulaC24H33LiO2P
Molecular Weight391.44 g/mol
Exact Mass391.24
IUPAC Name—
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li]
InChIInChI=1S/C24H33O2P.Li/c1-8-9-12-26-20-10-11-21(16(2)15-20)27-23(25)22-17(3)13-19(14-18(22)4)24(5,6)7;/h10-11,13-15,27H,8-9,12H2,1-7H3;
InChIKeyXHDKTLDCYFRNHL-UHFFFAOYSA-N
XLogP5.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
CID 70015545
CID 70015545
CID 70014778
CID 70014778
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452

Frequently Asked Questions

What is the IUPAC name of CID 70014164?
The IUPAC name of CID 70014164 (CID 70014164) is not available.
What is the SMILES notation for CID 70014164?
The canonical SMILES for CID 70014164 is CCCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(C)c1.[Li].
What is the InChIKey of CID 70014164?
The InChIKey is XHDKTLDCYFRNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O2P.Li/c1-8-9-12-26-20-10-11-21(16(2)15-20)27-23(25)22-17(3)13-19(14-18(22)4)24(5,6)7;/h10-11,13-15,27H,8-9,12H2,1-7H3;.
What are the key properties of CID 70014164?
CID 70014164 has a molecular weight of 391.44 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014164 is sourced from PubChem (CID 70014164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).