lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide

C16H15ClLiO2P — CID 141016761

IUPAClithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
SMILESCOc1cccc(Cl)c1C(=O)[P-]c1c(C)cccc1C.[Li+]
InChIInChI=1S/C16H15ClO2P.Li/c1-10-6-4-7-11(2)15(10)20-16(18)14-12(17)8-5-9-13(14)19-3;/h4-9H,1-3H3;/q-1;+1
InChIKeyAPCPZQVWXPSWBB-UHFFFAOYSA-N
MW312.66 g/mol
LogP1.38
Rot. Bonds4

About lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide

lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide (PubChem CID 141016761) has the molecular formula C16H15ClLiO2P and a molecular weight of 312.66 g/mol. Its IUPAC name is lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide.

Molecular Properties

Compound Namelithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
PubChem CID141016761
Molecular FormulaC16H15ClLiO2P
Molecular Weight312.66 g/mol
Exact Mass312.07
IUPAC Namelithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
SMILESCOc1cccc(Cl)c1C(=O)[P-]c1c(C)cccc1C.[Li+]
InChIInChI=1S/C16H15ClO2P.Li/c1-10-6-4-7-11(2)15(10)20-16(18)14-12(17)8-5-9-13(14)19-3;/h4-9H,1-3H3;/q-1;+1
InChIKeyAPCPZQVWXPSWBB-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 51.38
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

1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
lithium (2-chloro-6-methoxybenzoyl)-[2,5-di(propan-2-yl)phenyl]phosphanide
CID 141016460
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
lithium (2-chloro-6-methoxybenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141016208
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
CID 159993809
CID 159993809

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide?
The IUPAC name of lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide (CID 141016761) is lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide.
What is the SMILES notation for lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide?
The canonical SMILES for lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide is COc1cccc(Cl)c1C(=O)[P-]c1c(C)cccc1C.[Li+].
What is the InChIKey of lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide?
The InChIKey is APCPZQVWXPSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2P.Li/c1-10-6-4-7-11(2)15(10)20-16(18)14-12(17)8-5-9-13(14)19-3;/h4-9H,1-3H3;/q-1;+1.
What are the key properties of lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide?
lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide has a molecular weight of 312.66 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide is sourced from PubChem (CID 141016761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).