lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane

C15H21ClLiO3P — CID 174476932

IUPAClithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane
SMILESCOc1ccc(Cl)c(OC)c1C(=O)P.[CH-]1CCCCC1.[Li+]
InChIInChI=1S/C9H10ClO3P.C6H11.Li/c1-12-6-4-3-5(10)8(13-2)7(6)9(11)14;1-2-4-6-5-3-1;/h3-4H,14H2,1-2H3;1H,2-6H2;/q;-1;+1
InChIKeyVUZOFQWYMWNBER-UHFFFAOYSA-N
MW322.70 g/mol
LogP1.53
Rot. Bonds3

About lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane

lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane (PubChem CID 174476932) has the molecular formula C15H21ClLiO3P and a molecular weight of 322.70 g/mol. Its IUPAC name is lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane.

Molecular Properties

Compound Namelithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane
PubChem CID174476932
Molecular FormulaC15H21ClLiO3P
Molecular Weight322.70 g/mol
Exact Mass322.11
IUPAC Namelithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane
SMILESCOc1ccc(Cl)c(OC)c1C(=O)P.[CH-]1CCCCC1.[Li+]
InChIInChI=1S/C9H10ClO3P.C6H11.Li/c1-12-6-4-3-5(10)8(13-2)7(6)9(11)14;1-2-4-6-5-3-1;/h3-4H,14H2,1-2H3;1H,2-6H2;/q;-1;+1
InChIKeyVUZOFQWYMWNBER-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium (3-chloro-2,6-dimethoxybenzoyl)-cyclopentylphosphanide
CID 141023125
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-ethylsulfanylethanone
CID 3806515
[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
CID 3674670
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396

Frequently Asked Questions

What is the IUPAC name of lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane?
The IUPAC name of lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane (CID 174476932) is lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane.
What is the SMILES notation for lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane?
The canonical SMILES for lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane is COc1ccc(Cl)c(OC)c1C(=O)P.[CH-]1CCCCC1.[Li+].
What is the InChIKey of lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane?
The InChIKey is VUZOFQWYMWNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClO3P.C6H11.Li/c1-12-6-4-3-5(10)8(13-2)7(6)9(11)14;1-2-4-6-5-3-1;/h3-4H,14H2,1-2H3;1H,2-6H2;/q;-1;+1.
What are the key properties of lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane?
lithium;(3-chloro-2,6-dimethoxyphenyl)-phosphanylmethanone;cyclohexane has a molecular weight of 322.70 g/mol, XLogP of 1.53, 3 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-dimethoxyphenyl)-phosphanylmethanone;cyclohexane is sourced from PubChem (CID 174476932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).