CID 70015738

C21H27LiO4P — CID 70015738

IUPAC—
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1.[Li]
InChIInChI=1S/C21H27O4P.Li/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5;/h9-13,26H,6-8H2,1-5H3;
InChIKeyWRFKEUPEUAQSEE-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.26
Rot. Bonds9

About CID 70015738

CID 70015738 (PubChem CID 70015738) has the molecular formula C21H27LiO4P and a molecular weight of 381.36 g/mol.

Molecular Properties

Compound NameCID 70015738
PubChem CID70015738
Molecular FormulaC21H27LiO4P
Molecular Weight381.36 g/mol
Exact Mass381.18
IUPAC Name—
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1.[Li]
InChIInChI=1S/C21H27O4P.Li/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5;/h9-13,26H,6-8H2,1-5H3;
InChIKeyWRFKEUPEUAQSEE-UHFFFAOYSA-N
XLogP4.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
CID 70014251
CID 70014251
CID 70013385
CID 70013385
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514070
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
CID 70014966
CID 70014966

Frequently Asked Questions

What is the IUPAC name of CID 70015738?
The IUPAC name of CID 70015738 (CID 70015738) is not available.
What is the SMILES notation for CID 70015738?
The canonical SMILES for CID 70015738 is CCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1.[Li].
What is the InChIKey of CID 70015738?
The InChIKey is WRFKEUPEUAQSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O4P.Li/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5;/h9-13,26H,6-8H2,1-5H3;.
What are the key properties of CID 70015738?
CID 70015738 has a molecular weight of 381.36 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70015738 is sourced from PubChem (CID 70015738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).