CID 70014914

C22H21LiO4P — CID 70014914

IUPAC—
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(Oc2ccccc2)cc1C.[Li]
InChIInChI=1S/C22H21O4P.Li/c1-15-14-17(26-16-8-5-4-6-9-16)12-13-20(15)27-22(23)21-18(24-2)10-7-11-19(21)25-3;/h4-14,27H,1-3H3;
InChIKeyADJOSYQHUZHCNI-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.57
Rot. Bonds7

About CID 70014914

CID 70014914 (PubChem CID 70014914) has the molecular formula C22H21LiO4P and a molecular weight of 387.32 g/mol.

Molecular Properties

Compound NameCID 70014914
PubChem CID70014914
Molecular FormulaC22H21LiO4P
Molecular Weight387.32 g/mol
Exact Mass387.13
IUPAC Name—
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(Oc2ccccc2)cc1C.[Li]
InChIInChI=1S/C22H21O4P.Li/c1-15-14-17(26-16-8-5-4-6-9-16)12-13-20(15)27-22(23)21-18(24-2)10-7-11-19(21)25-3;/h4-14,27H,1-3H3;
InChIKeyADJOSYQHUZHCNI-UHFFFAOYSA-N
XLogP4.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.57
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

CID 70012958
CID 70012958
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055

Frequently Asked Questions

What is the IUPAC name of CID 70014914?
The IUPAC name of CID 70014914 (CID 70014914) is not available.
What is the SMILES notation for CID 70014914?
The canonical SMILES for CID 70014914 is COc1cccc(OC)c1C(=O)Pc1ccc(Oc2ccccc2)cc1C.[Li].
What is the InChIKey of CID 70014914?
The InChIKey is ADJOSYQHUZHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21O4P.Li/c1-15-14-17(26-16-8-5-4-6-9-16)12-13-20(15)27-22(23)21-18(24-2)10-7-11-19(21)25-3;/h4-14,27H,1-3H3;.
What are the key properties of CID 70014914?
CID 70014914 has a molecular weight of 387.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014914 is sourced from PubChem (CID 70014914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).