(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate

C13H8Cl2OP- — CID 21343849

IUPAC(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate
SMILES[O-]/C(=P\c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2OP/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8,16H/p-1
InChIKeyOIIKITGSSAMHSB-UHFFFAOYSA-M
MW282.09 g/mol
LogP3.10
Rot. Bonds2

About (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate

(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate (PubChem CID 21343849) has the molecular formula C13H8Cl2OP- and a molecular weight of 282.09 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate
PubChem CID21343849
Molecular FormulaC13H8Cl2OP-
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate
SMILES[O-]/C(=P\c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2OP/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8,16H/p-1
InChIKeyOIIKITGSSAMHSB-UHFFFAOYSA-M
XLogP3.10
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ether, bis(2,6-dichlorobenzyl)
CID 52735
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
2,4-Dichloro-1-(((2,4-dichlorophenyl)methoxy)methyl)benzene
CID 7021468
O-[(2-chlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155550037
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155564613
O-[(2,6-dichlorophenyl)methyl]hydroxylamine
CID 468127
Benzene, 1,1'-[oxybis(methylene)]bis[2-chloro-
CID 11737222
2,6-Dichloro-alpha-phenylbenzenemethanol
CID 22443473
Chloro-(2-chlorophenyl)-phenylmethanol
CID 54470024
1,3-dichloro-4-(18F)fluoro-2-(phenylmethoxymethyl)benzene
CID 129087275
CID 139071136
CID 139071136
1,3-Dichloro-4-fluoro-2-(phenylmethoxymethyl)benzene
CID 129073296

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate?
The IUPAC name of (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate (CID 21343849) is (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate.
What is the SMILES notation for (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate?
The canonical SMILES for (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate is [O-]/C(=P\c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate?
The InChIKey is OIIKITGSSAMHSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2OP/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8,16H/p-1.
What are the key properties of (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate?
(2,6-dichlorophenyl)-phenylphosphanylidenemethanolate has a molecular weight of 282.09 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-phenylphosphanylidenemethanolate is sourced from PubChem (CID 21343849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).