5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol

C12H17NO3 — CID 10857078

IUPAC5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol
SMILESC=CCc1c(N)c(OC)c(C)c(OC)c1O
InChIInChI=1S/C12H17NO3/c1-5-6-8-9(13)11(15-3)7(2)12(16-4)10(8)14/h5,14H,1,6,13H2,2-4H3
InChIKeyDTKJLIYQOPMKPH-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.03
Rot. Bonds4

About 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol

5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol (PubChem CID 10857078) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol
PubChem CID10857078
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol
SMILESC=CCc1c(N)c(OC)c(C)c(OC)c1O
InChIInChI=1S/C12H17NO3/c1-5-6-8-9(13)11(15-3)7(2)12(16-4)10(8)14/h5,14H,1,6,13H2,2-4H3
InChIKeyDTKJLIYQOPMKPH-UHFFFAOYSA-N
XLogP2.03
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-2-(2-amino-3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol
CID 16090838
2,4,5-Trimethoxy-3-methylaniline
CID 23250125
6-Amino-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-ol
CID 168269151
Rhodoquinonol-9
CID 134160348
3-Amino-5-methyl-2-(trifluoromethoxy)benzene-1,4-diol
CID 177201961
3-Amino-2-methoxy-5-(trifluoromethyl)benzene-1,4-diol
CID 177201966
5-Amino-2,4-dimethoxy-3-methylphenol
CID 11041382
5-Amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol
CID 166514338
2,4-Dimethoxy-6-(3-methoxyphenyl)-3-methyl-5-nitrophenol
CID 172145254
2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol
CID 57345913
2-Amino-5-(3,7-dimethyloctyl)-3-methoxy-6-methylbenzene-1,4-diol
CID 91826049
2-amino-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methoxy-6-methylbenzene-1,4-diol
CID 156583289

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol?
The IUPAC name of 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol (CID 10857078) is 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol.
What is the SMILES notation for 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol?
The canonical SMILES for 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol is C=CCc1c(N)c(OC)c(C)c(OC)c1O.
What is the InChIKey of 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol?
The InChIKey is DTKJLIYQOPMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-5-6-8-9(13)11(15-3)7(2)12(16-4)10(8)14/h5,14H,1,6,13H2,2-4H3.
What are the key properties of 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol?
5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol has a molecular weight of 223.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-3-methyl-6-prop-2-enylphenol is sourced from PubChem (CID 10857078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).