CID 70014966

C17H18ClLiO4P — CID 70014966

IUPAC—
SMILESCOc1cc(OC)c(PC(=O)c2c(C)cccc2Cl)c(OC)c1.[Li]
InChIInChI=1S/C17H18ClO4P.Li/c1-10-6-5-7-12(18)15(10)17(19)23-16-13(21-3)8-11(20-2)9-14(16)22-4;/h5-9,23H,1-4H3;
InChIKeyPMWBUYKLFBXEMX-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.44
Rot. Bonds6

About CID 70014966

CID 70014966 (PubChem CID 70014966) has the molecular formula C17H18ClLiO4P and a molecular weight of 359.70 g/mol.

Molecular Properties

Compound NameCID 70014966
PubChem CID70014966
Molecular FormulaC17H18ClLiO4P
Molecular Weight359.70 g/mol
Exact Mass359.08
IUPAC Name—
SMILESCOc1cc(OC)c(PC(=O)c2c(C)cccc2Cl)c(OC)c1.[Li]
InChIInChI=1S/C17H18ClO4P.Li/c1-10-6-5-7-12(18)15(10)17(19)23-16-13(21-3)8-11(20-2)9-14(16)22-4;/h5-9,23H,1-4H3;
InChIKeyPMWBUYKLFBXEMX-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.44
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

lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
CID 70013385
CID 70013385
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514070

Frequently Asked Questions

What is the IUPAC name of CID 70014966?
The IUPAC name of CID 70014966 (CID 70014966) is not available.
What is the SMILES notation for CID 70014966?
The canonical SMILES for CID 70014966 is COc1cc(OC)c(PC(=O)c2c(C)cccc2Cl)c(OC)c1.[Li].
What is the InChIKey of CID 70014966?
The InChIKey is PMWBUYKLFBXEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClO4P.Li/c1-10-6-5-7-12(18)15(10)17(19)23-16-13(21-3)8-11(20-2)9-14(16)22-4;/h5-9,23H,1-4H3;.
What are the key properties of CID 70014966?
CID 70014966 has a molecular weight of 359.70 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014966 is sourced from PubChem (CID 70014966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).