1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol

C10H15NO4 — CID 170817963

IUPAC1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1cc(N)cc(C(O)C(O)CO)c1
InChIInChI=1S/C10H15NO4/c1-15-8-3-6(2-7(11)4-8)10(14)9(13)5-12/h2-4,9-10,12-14H,5,11H2,1H3
InChIKeyINFSEIGEUDRGPJ-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.34
Rot. Bonds4

About 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol

1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170817963) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
PubChem CID170817963
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol
SMILESCOc1cc(N)cc(C(O)C(O)CO)c1
InChIInChI=1S/C10H15NO4/c1-15-8-3-6(2-7(11)4-8)10(14)9(13)5-12/h2-4,9-10,12-14H,5,11H2,1H3
InChIKeyINFSEIGEUDRGPJ-UHFFFAOYSA-N
XLogP-0.34
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(3,5-dimethoxyphenyl)propane-1,2-diol
CID 171862328
4-bromo-1-(3,5-dimethoxyphenyl)butane-1,2-diol
CID 171892304
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
1-(3,5-dimethoxyphenyl)-3-ethylpentane-1,2-diol
CID 103459693
3-[(3-amino-5-methoxyphenyl)methylsulfanyl]propane-1,2-diol
CID 81154694
1-(3,5-dimethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457152
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
3-amino-5-(1,2,3-trihydroxypropyl)benzoic acid
CID 170818309
1-(3,4-diamino-5-methylphenyl)propane-1,2,3-triol
CID 170817836
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol (CID 170817963) is 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol is COc1cc(N)cc(C(O)C(O)CO)c1.
What is the InChIKey of 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is INFSEIGEUDRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-15-8-3-6(2-7(11)4-8)10(14)9(13)5-12/h2-4,9-10,12-14H,5,11H2,1H3.
What are the key properties of 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol?
1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 213.23 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).