2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol

C10H13NO3 — CID 25033053

IUPAC2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
SMILESCOc1cc(/C=C/CO)cc(N)c1O
InChIInChI=1S/C10H13NO3/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,12-13H,4,11H2,1H3/b3-2+
InChIKeyXHTFLMYBVCNODE-NSCUHMNNSA-N
MW195.22 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol

2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol (PubChem CID 25033053) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
PubChem CID25033053
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
SMILESCOc1cc(/C=C/CO)cc(N)c1O
InChIInChI=1S/C10H13NO3/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,12-13H,4,11H2,1H3/b3-2+
InChIKeyXHTFLMYBVCNODE-NSCUHMNNSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 101382375
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
2-amino-4-(hydroxyiminomethyl)-6-methoxyphenol
CID 171131966
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The IUPAC name of 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol (CID 25033053) is 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol.
What is the SMILES notation for 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The canonical SMILES for 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol is COc1cc(/C=C/CO)cc(N)c1O.
What is the InChIKey of 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
The InChIKey is XHTFLMYBVCNODE-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-9-6-7(3-2-4-12)5-8(11)10(9)13/h2-3,5-6,12-13H,4,11H2,1H3/b3-2+.
What are the key properties of 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol?
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol has a molecular weight of 195.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol is sourced from PubChem (CID 25033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).