2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol

C12H16O4 — CID 22966628

IUPAC2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol
SMILESC/C=C/c1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C12H16O4/c1-5-6-8-7(2)9(13)11(15-3)12(16-4)10(8)14/h5-6,13-14H,1-4H3/b6-5+
InChIKeyUINNDRKVWFAGPN-AATRIKPKSA-N
MW224.26 g/mol
LogP2.46
Rot. Bonds3

About 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol

2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol (PubChem CID 22966628) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol
PubChem CID22966628
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol
SMILESC/C=C/c1c(C)c(O)c(OC)c(OC)c1O
InChIInChI=1S/C12H16O4/c1-5-6-8-7(2)9(13)11(15-3)12(16-4)10(8)14/h5-6,13-14H,1-4H3/b6-5+
InChIKeyUINNDRKVWFAGPN-AATRIKPKSA-N
XLogP2.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol?
The IUPAC name of 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol (CID 22966628) is 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol.
What is the SMILES notation for 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol?
The canonical SMILES for 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol is C/C=C/c1c(C)c(O)c(OC)c(OC)c1O.
What is the InChIKey of 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol?
The InChIKey is UINNDRKVWFAGPN-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-6-8-7(2)9(13)11(15-3)12(16-4)10(8)14/h5-6,13-14H,1-4H3/b6-5+.
What are the key properties of 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol?
2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol has a molecular weight of 224.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]benzene-1,4-diol is sourced from PubChem (CID 22966628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).