2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol

C15H23NO3 — CID 57345913

IUPAC2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol
SMILESCCC/C(C)=C/Cc1c(C)c(O)c(N)c(OC)c1O
InChIInChI=1S/C15H23NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7,17-18H,5-6,8,16H2,1-4H3/b9-7+
InChIKeyNZLKXXUSTYDAAM-VQHVLOKHSA-N
MW265.35 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol

2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol (PubChem CID 57345913) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol
PubChem CID57345913
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol
SMILESCCC/C(C)=C/Cc1c(C)c(O)c(N)c(OC)c1O
InChIInChI=1S/C15H23NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7,17-18H,5-6,8,16H2,1-4H3/b9-7+
InChIKeyNZLKXXUSTYDAAM-VQHVLOKHSA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.29
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 166782186
CID 166782186
CID 177201956
CID 177201956
CID 177201961
CID 177201961
CID 177201962
CID 177201962
CID 177201963
CID 177201963
CID 177201965
CID 177201965
CID 177201966
CID 177201966
CID 11041382
CID 11041382
CID 166514338
CID 166514338
CID 166514340
CID 166514340

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol?
The IUPAC name of 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol (CID 57345913) is 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol?
The canonical SMILES for 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol is CCC/C(C)=C/Cc1c(C)c(O)c(N)c(OC)c1O.
What is the InChIKey of 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol?
The InChIKey is NZLKXXUSTYDAAM-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7,17-18H,5-6,8,16H2,1-4H3/b9-7+.
What are the key properties of 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol?
2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol has a molecular weight of 265.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]benzene-1,4-diol is sourced from PubChem (CID 57345913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).