(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate

C15H18BrClO3P- — CID 141023017

IUPAC(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate
SMILESCOc1c(Cl)cc(Br)c(OC)c1/C([O-])=P/C1CCCCC1
InChIInChI=1S/C15H19BrClO3P/c1-19-13-10(16)8-11(17)14(20-2)12(13)15(18)21-9-6-4-3-5-7-9/h8-9,18H,3-7H2,1-2H3/p-1
InChIKeyRZXZJFOMRDDLOM-UHFFFAOYSA-M
MW392.64 g/mol
LogP4.24
Rot. Bonds4

About (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate

(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate (PubChem CID 141023017) has the molecular formula C15H18BrClO3P- and a molecular weight of 392.64 g/mol. Its IUPAC name is (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate.

Molecular Properties

Compound Name(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate
PubChem CID141023017
Molecular FormulaC15H18BrClO3P-
Molecular Weight392.64 g/mol
Exact Mass390.99
IUPAC Name(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate
SMILESCOc1c(Cl)cc(Br)c(OC)c1/C([O-])=P/C1CCCCC1
InChIInChI=1S/C15H19BrClO3P/c1-19-13-10(16)8-11(17)14(20-2)12(13)15(18)21-9-6-4-3-5-7-9/h8-9,18H,3-7H2,1-2H3/p-1
InChIKeyRZXZJFOMRDDLOM-UHFFFAOYSA-M
XLogP4.24
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate?
The IUPAC name of (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate (CID 141023017) is (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate.
What is the SMILES notation for (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate?
The canonical SMILES for (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate is COc1c(Cl)cc(Br)c(OC)c1/C([O-])=P/C1CCCCC1.
What is the InChIKey of (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate?
The InChIKey is RZXZJFOMRDDLOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19BrClO3P/c1-19-13-10(16)8-11(17)14(20-2)12(13)15(18)21-9-6-4-3-5-7-9/h8-9,18H,3-7H2,1-2H3/p-1.
What are the key properties of (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate?
(3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate has a molecular weight of 392.64 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-2,6-dimethoxyphenyl)-cyclohexylphosphanylidenemethanolate is sourced from PubChem (CID 141023017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).