(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone

C17H19NO6 — CID 22097609

IUPAC(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(N)c(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H19NO6/c1-21-12-7-10(11(18)8-13(12)22-2)16(19)9-5-14(23-3)17(20)15(6-9)24-4/h5-8,20H,18H2,1-4H3
InChIKeyMZDMKKVNLWBOCV-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.24
Rot. Bonds6

About (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone

(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone (PubChem CID 22097609) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
PubChem CID22097609
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(N)c(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC
InChIInChI=1S/C17H19NO6/c1-21-12-7-10(11(18)8-13(12)22-2)16(19)9-5-14(23-3)17(20)15(6-9)24-4/h5-8,20H,18H2,1-4H3
InChIKeyMZDMKKVNLWBOCV-UHFFFAOYSA-N
XLogP2.24
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid
CID 141430670
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone (CID 22097609) is (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone is COc1cc(N)c(C(=O)c2cc(OC)c(O)c(OC)c2)cc1OC.
What is the InChIKey of (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
The InChIKey is MZDMKKVNLWBOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-21-12-7-10(11(18)8-13(12)22-2)16(19)9-5-14(23-3)17(20)15(6-9)24-4/h5-8,20H,18H2,1-4H3.
What are the key properties of (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone?
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone has a molecular weight of 333.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 22097609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).