chloro-(2-methoxycarbonylphenyl)phosphinous acid

C8H8ClO3P — CID 143798866

IUPACchloro-(2-methoxycarbonylphenyl)phosphinous acid
SMILESCOC(=O)c1ccccc1P(O)Cl
InChIInChI=1S/C8H8ClO3P/c1-12-8(10)6-4-2-3-5-7(6)13(9)11/h2-5,11H,1H3
InChIKeyFVQAXZUIASVXRD-UHFFFAOYSA-N
MW218.58 g/mol
LogP1.64
Rot. Bonds2

About chloro-(2-methoxycarbonylphenyl)phosphinous acid

chloro-(2-methoxycarbonylphenyl)phosphinous acid (PubChem CID 143798866) has the molecular formula C8H8ClO3P and a molecular weight of 218.58 g/mol. Its IUPAC name is chloro-(2-methoxycarbonylphenyl)phosphinous acid.

Molecular Properties

Compound Namechloro-(2-methoxycarbonylphenyl)phosphinous acid
PubChem CID143798866
Molecular FormulaC8H8ClO3P
Molecular Weight218.58 g/mol
Exact Mass217.99
IUPAC Namechloro-(2-methoxycarbonylphenyl)phosphinous acid
SMILESCOC(=O)c1ccccc1P(O)Cl
InChIInChI=1S/C8H8ClO3P/c1-12-8(10)6-4-2-3-5-7(6)13(9)11/h2-5,11H,1H3
InChIKeyFVQAXZUIASVXRD-UHFFFAOYSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.58
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-phosphanylbenzoate
CID 156736008
methyl 2-[[4-(dimethylamino)phenyl]-phenylphosphanyl]benzoate
CID 102464983
methyl 2-hydroxybenzoate;urea
CID 174888687
ethane;methyl 2-methoxybenzoate
CID 178037044
ethane;methane;methyl 2-methylbenzoate
CID 168902289
methyl 2-sulfanylbenzoate;sulfuryl dichloride
CID 87177187
methyl 2-(C-chloro-N-hydroxycarbonimidoyl)benzoate
CID 71367271
methyl 2-(2-chlorophenyl)benzoate
CID 1393589

Frequently Asked Questions

What is the IUPAC name of chloro-(2-methoxycarbonylphenyl)phosphinous acid?
The IUPAC name of chloro-(2-methoxycarbonylphenyl)phosphinous acid (CID 143798866) is chloro-(2-methoxycarbonylphenyl)phosphinous acid.
What is the SMILES notation for chloro-(2-methoxycarbonylphenyl)phosphinous acid?
The canonical SMILES for chloro-(2-methoxycarbonylphenyl)phosphinous acid is COC(=O)c1ccccc1P(O)Cl.
What is the InChIKey of chloro-(2-methoxycarbonylphenyl)phosphinous acid?
The InChIKey is FVQAXZUIASVXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClO3P/c1-12-8(10)6-4-2-3-5-7(6)13(9)11/h2-5,11H,1H3.
What are the key properties of chloro-(2-methoxycarbonylphenyl)phosphinous acid?
chloro-(2-methoxycarbonylphenyl)phosphinous acid has a molecular weight of 218.58 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-methoxycarbonylphenyl)phosphinous acid is sourced from PubChem (CID 143798866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).