lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide

C14H17ClLiO3P — CID 141023125

IUPAClithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide
SMILESCOc1ccc(Cl)c(OC)c1C(=O)[P-]C1CCCC1.[Li+]
InChIInChI=1S/C14H17ClO3P.Li/c1-17-11-8-7-10(15)13(18-2)12(11)14(16)19-9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3;/q-1;+1
InChIKeyAZROECVDFAMVNR-UHFFFAOYSA-N
MW306.65 g/mol
LogP1.39
Rot. Bonds5

About lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide

lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide (PubChem CID 141023125) has the molecular formula C14H17ClLiO3P and a molecular weight of 306.65 g/mol. Its IUPAC name is lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide.

Molecular Properties

Compound Namelithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide
PubChem CID141023125
Molecular FormulaC14H17ClLiO3P
Molecular Weight306.65 g/mol
Exact Mass306.08
IUPAC Namelithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide
SMILESCOc1ccc(Cl)c(OC)c1C(=O)[P-]C1CCCC1.[Li+]
InChIInChI=1S/C14H17ClO3P.Li/c1-17-11-8-7-10(15)13(18-2)12(11)14(16)19-9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3;/q-1;+1
InChIKeyAZROECVDFAMVNR-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.65
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane
CID 174476932
[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
CID 3674670
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-ethylsulfanylethanone
CID 3806515
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
N-[1-(3-chloro-2,6-dimethoxyphenyl)ethenyl]-1-methylpyrrolidin-2-amine
CID 89080550
methyl 2-[[(3,6-dichloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745195
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716

Frequently Asked Questions

What is the IUPAC name of lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide?
The IUPAC name of lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide (CID 141023125) is lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide.
What is the SMILES notation for lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide?
The canonical SMILES for lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide is COc1ccc(Cl)c(OC)c1C(=O)[P-]C1CCCC1.[Li+].
What is the InChIKey of lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide?
The InChIKey is AZROECVDFAMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3P.Li/c1-17-11-8-7-10(15)13(18-2)12(11)14(16)19-9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3;/q-1;+1.
What are the key properties of lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide?
lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide has a molecular weight of 306.65 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide is sourced from PubChem (CID 141023125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).