1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene

C19H18ClO3P — CID 56602405

IUPAC1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene
SMILESCOP(=O)(OC)c1ccc2ccccc2c1-c1ccc(Cl)cc1C
InChIInChI=1S/C19H18ClO3P/c1-13-12-15(20)9-10-16(13)19-17-7-5-4-6-14(17)8-11-18(19)24(21,22-2)23-3/h4-12H,1-3H3
InChIKeyDKHPTMSTBVYMJB-UHFFFAOYSA-N
MW360.78 g/mol
LogP5.58
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene

1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene (PubChem CID 56602405) has the molecular formula C19H18ClO3P and a molecular weight of 360.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene
PubChem CID56602405
Molecular FormulaC19H18ClO3P
Molecular Weight360.78 g/mol
Exact Mass360.07
IUPAC Name1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene
SMILESCOP(=O)(OC)c1ccc2ccccc2c1-c1ccc(Cl)cc1C
InChIInChI=1S/C19H18ClO3P/c1-13-12-15(20)9-10-16(13)19-17-7-5-4-6-14(17)8-11-18(19)24(21,22-2)23-3/h4-12H,1-3H3
InChIKeyDKHPTMSTBVYMJB-UHFFFAOYSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.78
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene (CID 56602405) is 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene is COP(=O)(OC)c1ccc2ccccc2c1-c1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene?
The InChIKey is DKHPTMSTBVYMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClO3P/c1-13-12-15(20)9-10-16(13)19-17-7-5-4-6-14(17)8-11-18(19)24(21,22-2)23-3/h4-12H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene?
1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene has a molecular weight of 360.78 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-dimethoxyphosphorylnaphthalene is sourced from PubChem (CID 56602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).