3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol

C10H15NO3 — CID 170827678

IUPAC3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c(O)c1
InChIInChI=1S/C10H15NO3/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,12-14H,5,11H2,1H3
InChIKeyVHCAPOVXIRDAAP-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol

3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol (PubChem CID 170827678) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
PubChem CID170827678
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)c(O)c1
InChIInChI=1S/C10H15NO3/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,12-14H,5,11H2,1H3
InChIKeyVHCAPOVXIRDAAP-UHFFFAOYSA-N
XLogP0.05
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1R)-3-amino-1-hydroxypropyl]-5-methylphenol
CID 96744848
3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828607
methyl 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanoate
CID 171895218
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S,2R)-1-amino-2-hydroxypentyl]-5-methylphenol;hydrochloride
CID 171270306
5-methyl-2-pentan-3-ylphenol
CID 67240040
2-[(1R)-1,4-diaminobutyl]-5-methylphenol;hydrochloride
CID 171212396
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol (CID 170827678) is 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN)c(O)c1.
What is the InChIKey of 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol?
The InChIKey is VHCAPOVXIRDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-2-3-7(8(12)4-6)10(14)9(13)5-11/h2-4,9-10,12-14H,5,11H2,1H3.
What are the key properties of 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol?
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 170827678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).