CID 70016005

C16H15Cl2LiO2P — CID 70016005

IUPAC—
SMILESCC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li]
InChIInChI=1S/C16H15Cl2O2P.Li/c1-10(2)20-11-6-8-12(9-7-11)21-16(19)15-13(17)4-3-5-14(15)18;/h3-10,21H,1-2H3;
InChIKeyHNBNSYAHRRNODX-UHFFFAOYSA-N
MW348.12 g/mol
LogP4.54
Rot. Bonds5

About CID 70016005

CID 70016005 (PubChem CID 70016005) has the molecular formula C16H15Cl2LiO2P and a molecular weight of 348.12 g/mol.

Molecular Properties

Compound NameCID 70016005
PubChem CID70016005
Molecular FormulaC16H15Cl2LiO2P
Molecular Weight348.12 g/mol
Exact Mass347.03
IUPAC Name—
SMILESCC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li]
InChIInChI=1S/C16H15Cl2O2P.Li/c1-10(2)20-11-6-8-12(9-7-11)21-16(19)15-13(17)4-3-5-14(15)18;/h3-10,21H,1-2H3;
InChIKeyHNBNSYAHRRNODX-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
CID 18514686
CID 70014538
CID 70014538
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
CID 70014116
CID 70014116
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
[4-(2,6-dichlorobenzoyl)phosphanylphenyl] benzoate
CID 139895681
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543

Frequently Asked Questions

What is the IUPAC name of CID 70016005?
The IUPAC name of CID 70016005 (CID 70016005) is not available.
What is the SMILES notation for CID 70016005?
The canonical SMILES for CID 70016005 is CC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[Li].
What is the InChIKey of CID 70016005?
The InChIKey is HNBNSYAHRRNODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2O2P.Li/c1-10(2)20-11-6-8-12(9-7-11)21-16(19)15-13(17)4-3-5-14(15)18;/h3-10,21H,1-2H3;.
What are the key properties of CID 70016005?
CID 70016005 has a molecular weight of 348.12 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70016005 is sourced from PubChem (CID 70016005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).