5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol

C12H16O3 — CID 91064206

IUPAC5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCOc1cc(O)c(CC=C(C)C)c(O)c1
InChIInChI=1S/C12H16O3/c1-8(2)4-5-10-11(13)6-9(15-3)7-12(10)14/h4,6-7,13-14H,5H2,1-3H3
InChIKeyLYCHSCWUCOARAB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.62
Rot. Bonds3

About 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol

5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol (PubChem CID 91064206) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
PubChem CID91064206
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCOc1cc(O)c(CC=C(C)C)c(O)c1
InChIInChI=1S/C12H16O3/c1-8(2)4-5-10-11(13)6-9(15-3)7-12(10)14/h4,6-7,13-14H,5H2,1-3H3
InChIKeyLYCHSCWUCOARAB-UHFFFAOYSA-N
XLogP2.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The IUPAC name of 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol (CID 91064206) is 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol.
What is the SMILES notation for 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The canonical SMILES for 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol is COc1cc(O)c(CC=C(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol?
The InChIKey is LYCHSCWUCOARAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)4-5-10-11(13)6-9(15-3)7-12(10)14/h4,6-7,13-14H,5H2,1-3H3.
What are the key properties of 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol?
5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol has a molecular weight of 208.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol is sourced from PubChem (CID 91064206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).