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

C14H10Cl2O2P- — CID 141016758

IUPAC(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate
SMILESCOc1c(Cl)ccc(Cl)c1/C([O-])=P/c1ccccc1
InChIInChI=1S/C14H11Cl2O2P/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9/h2-8,17H,1H3/p-1
InChIKeyNBKVMLKXKOSXEB-UHFFFAOYSA-M
MW312.11 g/mol
LogP3.11
Rot. Bonds3

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

(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate (PubChem CID 141016758) has the molecular formula C14H10Cl2O2P- and a molecular weight of 312.11 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate
PubChem CID141016758
Molecular FormulaC14H10Cl2O2P-
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate
SMILESCOc1c(Cl)ccc(Cl)c1/C([O-])=P/c1ccccc1
InChIInChI=1S/C14H11Cl2O2P/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9/h2-8,17H,1H3/p-1
InChIKeyNBKVMLKXKOSXEB-UHFFFAOYSA-M
XLogP3.11
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
(3-chloro-2,6-dimethoxyphenyl)-[(2,6-dichlorobenzoyl)-phenylphosphoryl]methanone
CID 70016069
3,6-dichloro-2-methoxybenzoate;1-hexadecylpyridin-1-ium
CID 67127142
[(Z)-(1-amino-2-phenylethylidene)amino] 3,6-dichloro-2-methoxybenzoate
CID 164870384
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate (CID 141016758) is (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate is COc1c(Cl)ccc(Cl)c1/C([O-])=P/c1ccccc1.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate?
The InChIKey is NBKVMLKXKOSXEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2O2P/c1-18-13-11(16)8-7-10(15)12(13)14(17)19-9-5-3-2-4-6-9/h2-8,17H,1H3/p-1.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate?
(3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate has a molecular weight of 312.11 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-phenylphosphanylidenemethanolate is sourced from PubChem (CID 141016758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).