2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol

C15H22O3 — CID 58954650

IUPAC2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol
SMILESCC/C(C)=C/Cc1c(C)c(O)c(C)c(OC)c1O
InChIInChI=1S/C15H22O3/c1-6-9(2)7-8-12-10(3)13(16)11(4)15(18-5)14(12)17/h7,16-17H,6,8H2,1-5H3/b9-7+
InChIKeyGTJDSSHXDGZSKG-VQHVLOKHSA-N
MW250.34 g/mol
LogP3.62
Rot. Bonds4

About 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol

2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol (PubChem CID 58954650) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol
PubChem CID58954650
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol
SMILESCC/C(C)=C/Cc1c(C)c(O)c(C)c(OC)c1O
InChIInChI=1S/C15H22O3/c1-6-9(2)7-8-12-10(3)13(16)11(4)15(18-5)14(12)17/h7,16-17H,6,8H2,1-5H3/b9-7+
InChIKeyGTJDSSHXDGZSKG-VQHVLOKHSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol?
The IUPAC name of 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol (CID 58954650) is 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol?
The canonical SMILES for 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol is CC/C(C)=C/Cc1c(C)c(O)c(C)c(OC)c1O.
What is the InChIKey of 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol?
The InChIKey is GTJDSSHXDGZSKG-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-9(2)7-8-12-10(3)13(16)11(4)15(18-5)14(12)17/h7,16-17H,6,8H2,1-5H3/b9-7+.
What are the key properties of 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol?
2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol has a molecular weight of 250.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5-dimethyl-6-[(E)-3-methylpent-2-enyl]benzene-1,4-diol is sourced from PubChem (CID 58954650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).