4-methoxybenzene-1,3-diol;2-methyloxirane

C10H14O4 — CID 131711455

IUPAC4-methoxybenzene-1,3-diol;2-methyloxirane
SMILESCC1CO1.COc1ccc(O)cc1O
InChIInChI=1S/C7H8O3.C3H6O/c1-10-7-3-2-5(8)4-6(7)9;1-3-2-4-3/h2-4,8-9H,1H3;3H,2H2,1H3
InChIKeyRWLTZMDZGCQXLG-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.51
Rot. Bonds1

About 4-methoxybenzene-1,3-diol;2-methyloxirane

4-methoxybenzene-1,3-diol;2-methyloxirane (PubChem CID 131711455) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-methoxybenzene-1,3-diol;2-methyloxirane.

Molecular Properties

Compound Name4-methoxybenzene-1,3-diol;2-methyloxirane
PubChem CID131711455
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-methoxybenzene-1,3-diol;2-methyloxirane
SMILESCC1CO1.COc1ccc(O)cc1O
InChIInChI=1S/C7H8O3.C3H6O/c1-10-7-3-2-5(8)4-6(7)9;1-3-2-4-3/h2-4,8-9H,1H3;3H,2H2,1H3
InChIKeyRWLTZMDZGCQXLG-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzene-1,3-diol;2-methyloxirane?
The IUPAC name of 4-methoxybenzene-1,3-diol;2-methyloxirane (CID 131711455) is 4-methoxybenzene-1,3-diol;2-methyloxirane.
What is the SMILES notation for 4-methoxybenzene-1,3-diol;2-methyloxirane?
The canonical SMILES for 4-methoxybenzene-1,3-diol;2-methyloxirane is CC1CO1.COc1ccc(O)cc1O.
What is the InChIKey of 4-methoxybenzene-1,3-diol;2-methyloxirane?
The InChIKey is RWLTZMDZGCQXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C3H6O/c1-10-7-3-2-5(8)4-6(7)9;1-3-2-4-3/h2-4,8-9H,1H3;3H,2H2,1H3.
What are the key properties of 4-methoxybenzene-1,3-diol;2-methyloxirane?
4-methoxybenzene-1,3-diol;2-methyloxirane has a molecular weight of 198.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzene-1,3-diol;2-methyloxirane is sourced from PubChem (CID 131711455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).