lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide

C10H11ClLiO2P — CID 141023114

IUPAClithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
SMILESCOc1cccc(Cl)c1C(=O)CC[PH-].[Li+]
InChIInChI=1S/C10H11ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4,14H,5-6H2,1H3;/q-1;+1
InChIKeyZJJCYWGKFULYNV-UHFFFAOYSA-N
MW236.56 g/mol
LogP0.07
Rot. Bonds4

About lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide

lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide (PubChem CID 141023114) has the molecular formula C10H11ClLiO2P and a molecular weight of 236.56 g/mol. Its IUPAC name is lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide.

Molecular Properties

Compound Namelithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
PubChem CID141023114
Molecular FormulaC10H11ClLiO2P
Molecular Weight236.56 g/mol
Exact Mass236.03
IUPAC Namelithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
SMILESCOc1cccc(Cl)c1C(=O)CC[PH-].[Li+]
InChIInChI=1S/C10H11ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4,14H,5-6H2,1H3;/q-1;+1
InChIKeyZJJCYWGKFULYNV-UHFFFAOYSA-N
XLogP0.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 50.07
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

CID 159993809
CID 159993809
1-(2-chloro-6-methoxyphenyl)-5-phosphanylpentan-1-one
CID 174476921
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
CID 141023129
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970067
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
CID 141016761
(2-chloro-6-methoxyphenyl)-[methyl(propyl)phosphanyl]methanone
CID 174477008
1-(2-bromo-6-methoxyphenyl)-3-chloropropan-1-one
CID 118841344

Frequently Asked Questions

What is the IUPAC name of lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide?
The IUPAC name of lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide (CID 141023114) is lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide.
What is the SMILES notation for lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide?
The canonical SMILES for lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide is COc1cccc(Cl)c1C(=O)CC[PH-].[Li+].
What is the InChIKey of lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide?
The InChIKey is ZJJCYWGKFULYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2P.Li/c1-13-9-4-2-3-7(11)10(9)8(12)5-6-14;/h2-4,14H,5-6H2,1H3;/q-1;+1.
What are the key properties of lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide?
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide has a molecular weight of 236.56 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide is sourced from PubChem (CID 141023114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).