CID 70014414

C14H11Cl2LiOP — CID 70014414

IUPAC—
SMILESCc1ccc(Cl)c(C(=O)Pc2ccccc2)c1Cl.[Li]
InChIInChI=1S/C14H11Cl2OP.Li/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10;/h2-8,18H,1H3;
InChIKeyOXSOSWYFVCIFLN-UHFFFAOYSA-N
MW304.06 g/mol
LogP4.07
Rot. Bonds3

About CID 70014414

CID 70014414 (PubChem CID 70014414) has the molecular formula C14H11Cl2LiOP and a molecular weight of 304.06 g/mol.

Molecular Properties

Compound NameCID 70014414
PubChem CID70014414
Molecular FormulaC14H11Cl2LiOP
Molecular Weight304.06 g/mol
Exact Mass303.01
IUPAC Name—
SMILESCc1ccc(Cl)c(C(=O)Pc2ccccc2)c1Cl.[Li]
InChIInChI=1S/C14H11Cl2OP.Li/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10;/h2-8,18H,1H3;
InChIKeyOXSOSWYFVCIFLN-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.06
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
CID 173243395
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
CID 18514686
(3-ethyl-2,4,6-trimethylphenyl)-phenylphosphanylmethanone
CID 174960261
CID 70016005
CID 70016005
(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate
CID 141016069
2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide
CID 143746118
[4-(2,6-dichlorobenzoyl)phosphanylphenyl] benzoate
CID 139895681
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
2,6-dichloro-N-methoxy-N,3-dimethylbenzamide
CID 171368105

Frequently Asked Questions

What is the IUPAC name of CID 70014414?
The IUPAC name of CID 70014414 (CID 70014414) is not available.
What is the SMILES notation for CID 70014414?
The canonical SMILES for CID 70014414 is Cc1ccc(Cl)c(C(=O)Pc2ccccc2)c1Cl.[Li].
What is the InChIKey of CID 70014414?
The InChIKey is OXSOSWYFVCIFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2OP.Li/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10;/h2-8,18H,1H3;.
What are the key properties of CID 70014414?
CID 70014414 has a molecular weight of 304.06 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70014414 is sourced from PubChem (CID 70014414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).