2-amino-6-methoxy-4-prop-2-enylphenol

C10H13NO2 — CID 13408826

IUPAC2-amino-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)c(OC)c1
InChIInChI=1S/C10H13NO2/c1-3-4-7-5-8(11)10(12)9(6-7)13-2/h3,5-6,12H,1,4,11H2,2H3
InChIKeyLQMBDGCQZFSSFC-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-6-methoxy-4-prop-2-enylphenol

2-amino-6-methoxy-4-prop-2-enylphenol (PubChem CID 13408826) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-6-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-amino-6-methoxy-4-prop-2-enylphenol
PubChem CID13408826
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-amino-6-methoxy-4-prop-2-enylphenol
SMILESC=CCc1cc(N)c(O)c(OC)c1
InChIInChI=1S/C10H13NO2/c1-3-4-7-5-8(11)10(12)9(6-7)13-2/h3,5-6,12H,1,4,11H2,2H3
InChIKeyLQMBDGCQZFSSFC-UHFFFAOYSA-N
XLogP1.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2-amino-6-methoxy-4-prop-2-enylphenol (CID 13408826) is 2-amino-6-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2-amino-6-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2-amino-6-methoxy-4-prop-2-enylphenol is C=CCc1cc(N)c(O)c(OC)c1.
What is the InChIKey of 2-amino-6-methoxy-4-prop-2-enylphenol?
The InChIKey is LQMBDGCQZFSSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-4-7-5-8(11)10(12)9(6-7)13-2/h3,5-6,12H,1,4,11H2,2H3.
What are the key properties of 2-amino-6-methoxy-4-prop-2-enylphenol?
2-amino-6-methoxy-4-prop-2-enylphenol has a molecular weight of 179.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 13408826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).