(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate

C15H18NO7P — CID 175365067

IUPAC(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate
SMILESCOc1c(C)c(Oc2ccccc2)c(OP(=O)(O)O)c(N)c1OC
InChIInChI=1S/C15H18NO7P/c1-9-12(20-2)14(21-3)11(16)15(23-24(17,18)19)13(9)22-10-7-5-4-6-8-10/h4-8H,16H2,1-3H3,(H2,17,18,19)
InChIKeyDFBLIIXHFRVRAR-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.86
Rot. Bonds6

About (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate

(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate (PubChem CID 175365067) has the molecular formula C15H18NO7P and a molecular weight of 355.28 g/mol. Its IUPAC name is (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate
PubChem CID175365067
Molecular FormulaC15H18NO7P
Molecular Weight355.28 g/mol
Exact Mass355.08
IUPAC Name(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate
SMILESCOc1c(C)c(Oc2ccccc2)c(OP(=O)(O)O)c(N)c1OC
InChIInChI=1S/C15H18NO7P/c1-9-12(20-2)14(21-3)11(16)15(23-24(17,18)19)13(9)22-10-7-5-4-6-8-10/h4-8H,16H2,1-3H3,(H2,17,18,19)
InChIKeyDFBLIIXHFRVRAR-UHFFFAOYSA-N
XLogP2.86
TPSA120.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The IUPAC name of (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate (CID 175365067) is (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate is COc1c(C)c(Oc2ccccc2)c(OP(=O)(O)O)c(N)c1OC.
What is the InChIKey of (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The InChIKey is DFBLIIXHFRVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO7P/c1-9-12(20-2)14(21-3)11(16)15(23-24(17,18)19)13(9)22-10-7-5-4-6-8-10/h4-8H,16H2,1-3H3,(H2,17,18,19).
What are the key properties of (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate?
(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate has a molecular weight of 355.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 175365067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).