4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol

C11H13NO3 — CID 146368643

IUPAC4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol
SMILESC#CCOC(CN)c1ccc(O)c(O)c1
InChIInChI=1S/C11H13NO3/c1-2-5-15-11(7-12)8-3-4-9(13)10(14)6-8/h1,3-4,6,11,13-14H,5,7,12H2
InChIKeyUBAMSWOAPSPMSI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.75
Rot. Bonds4

About 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol

4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol (PubChem CID 146368643) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol
PubChem CID146368643
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol
SMILESC#CCOC(CN)c1ccc(O)c(O)c1
InChIInChI=1S/C11H13NO3/c1-2-5-15-11(7-12)8-3-4-9(13)10(14)6-8/h1,3-4,6,11,13-14H,5,7,12H2
InChIKeyUBAMSWOAPSPMSI-UHFFFAOYSA-N
XLogP0.75
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-bis(prop-2-ynoxy)phenyl]-2-prop-2-ynoxyethanamine
CID 146368815
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
4-[2-[4-[5-(2-amino-1-prop-2-ynoxyethyl)-2-methyl-1,3-benzodioxol-2-yl]but-2-ynyl-prop-2-ynylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 146368640
4-[(1R)-2-amino-1-(3,4-dihydroxyphenyl)ethoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 166722013
4-(3-amino-1-methoxypropyl)benzene-1,2-diol
CID 83831333
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
CID 173424167
4-[(1S)-2-hydroxy-1-methoxyethyl]benzene-1,2-diol
CID 86333779
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
4-(1-but-2-ynoxyethyl)benzene-1,2-diol
CID 45092978
4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioate
CID 154731044
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-prop-2-ynoxypropanamide
CID 146368927

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol?
The IUPAC name of 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol (CID 146368643) is 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol?
The canonical SMILES for 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol is C#CCOC(CN)c1ccc(O)c(O)c1.
What is the InChIKey of 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol?
The InChIKey is UBAMSWOAPSPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-5-15-11(7-12)8-3-4-9(13)10(14)6-8/h1,3-4,6,11,13-14H,5,7,12H2.
What are the key properties of 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol?
4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol has a molecular weight of 207.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-prop-2-ynoxyethyl)benzene-1,2-diol is sourced from PubChem (CID 146368643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).