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

C15H18NO7P — CID 175181798

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

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

(3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate (PubChem CID 175181798) has the molecular formula C15H18NO7P and a molecular weight of 355.28 g/mol. Its IUPAC name is (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate
PubChem CID175181798
Molecular FormulaC15H18NO7P
Molecular Weight355.28 g/mol
Exact Mass355.08
IUPAC Name(3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate
SMILESCOc1c(N)c(C)c(OP(=O)(O)O)c(Oc2ccccc2)c1OC
InChIInChI=1S/C15H18NO7P/c1-9-11(16)13(20-2)14(21-3)15(12(9)23-24(17,18)19)22-10-7-5-4-6-8-10/h4-8H,16H2,1-3H3,(H2,17,18,19)
InChIKeyDOFJDWFFTSPICB-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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Related Compounds

(2-amino-3,4-dimethoxy-5-methyl-6-phenoxyphenyl) dihydrogen phosphate
CID 175365067
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
3-methoxy-4-methyl-5-phenoxypyridine-2-carboxamide
CID 175581561
CID 131875092
CID 131875092
chlorophosphonic acid;1-methyl-4-phenoxybenzene
CID 88791217
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
phenyl-(2,3,5-trimethoxy-6-methyl-4-phenoxyphenyl)phosphanylidenemethanolate
CID 141016293
anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
CID 173428385
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
2,6-dimethyl-4-phenoxyaniline
CID 12546819
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The IUPAC name of (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate (CID 175181798) is (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate.
What is the SMILES notation for (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The canonical SMILES for (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate is COc1c(N)c(C)c(OP(=O)(O)O)c(Oc2ccccc2)c1OC.
What is the InChIKey of (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate?
The InChIKey is DOFJDWFFTSPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO7P/c1-9-11(16)13(20-2)14(21-3)15(12(9)23-24(17,18)19)22-10-7-5-4-6-8-10/h4-8H,16H2,1-3H3,(H2,17,18,19).
What are the key properties of (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate?
(3-amino-4,5-dimethoxy-2-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 (3-amino-4,5-dimethoxy-2-methyl-6-phenoxyphenyl) dihydrogen phosphate is sourced from PubChem (CID 175181798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).