(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate

C14H10Cl2OP- — CID 141016069

IUPAC(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate
SMILESCc1ccc(Cl)c(/C([O-])=P/c2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2OP/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10/h2-8,17H,1H3/p-1
InChIKeyMAWYNEVWHOXHAR-UHFFFAOYSA-M
MW296.11 g/mol
LogP3.41
Rot. Bonds2

About (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate

(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate (PubChem CID 141016069) has the molecular formula C14H10Cl2OP- and a molecular weight of 296.11 g/mol. Its IUPAC name is (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate.

Molecular Properties

Compound Name(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate
PubChem CID141016069
Molecular FormulaC14H10Cl2OP-
Molecular Weight296.11 g/mol
Exact Mass294.99
IUPAC Name(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate
SMILESCc1ccc(Cl)c(/C([O-])=P/c2ccccc2)c1Cl
InChIInChI=1S/C14H11Cl2OP/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10/h2-8,17H,1H3/p-1
InChIKeyMAWYNEVWHOXHAR-UHFFFAOYSA-M
XLogP3.41
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate?
The IUPAC name of (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate (CID 141016069) is (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate.
What is the SMILES notation for (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate?
The canonical SMILES for (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate is Cc1ccc(Cl)c(/C([O-])=P/c2ccccc2)c1Cl.
What is the InChIKey of (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate?
The InChIKey is MAWYNEVWHOXHAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2OP/c1-9-7-8-11(15)12(13(9)16)14(17)18-10-5-3-2-4-6-10/h2-8,17H,1H3/p-1.
What are the key properties of (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate?
(2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate has a molecular weight of 296.11 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-methylphenyl)-phenylphosphanylidenemethanolate is sourced from PubChem (CID 141016069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).