4-methoxybenzene-1,3-diol

C7H8O3 — CID 3083936

IUPAC4-methoxybenzene-1,3-diol
SMILESCOc1ccc(O)cc1O
InChIInChI=1S/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3
InChIKeyGPJJASIJVRXZFI-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.11
Rot. Bonds1

About 4-methoxybenzene-1,3-diol

4-methoxybenzene-1,3-diol (PubChem CID 3083936) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-methoxybenzene-1,3-diol
PubChem CID3083936
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4-methoxybenzene-1,3-diol
SMILESCOc1ccc(O)cc1O
InChIInChI=1S/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3
InChIKeyGPJJASIJVRXZFI-UHFFFAOYSA-N
XLogP1.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzene-1,3-diol?
The IUPAC name of 4-methoxybenzene-1,3-diol (CID 3083936) is 4-methoxybenzene-1,3-diol.
What is the SMILES notation for 4-methoxybenzene-1,3-diol?
The canonical SMILES for 4-methoxybenzene-1,3-diol is COc1ccc(O)cc1O.
What is the InChIKey of 4-methoxybenzene-1,3-diol?
The InChIKey is GPJJASIJVRXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-10-7-3-2-5(8)4-6(7)9/h2-4,8-9H,1H3.
What are the key properties of 4-methoxybenzene-1,3-diol?
4-methoxybenzene-1,3-diol has a molecular weight of 140.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzene-1,3-diol is sourced from PubChem (CID 3083936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).