acetic acid;2-methoxybenzene-1,4-diol

C9H12O5 — CID 70568459

IUPACacetic acid;2-methoxybenzene-1,4-diol
SMILESCC(=O)O.COc1cc(O)ccc1O
InChIInChI=1S/C7H8O3.C2H4O2/c1-10-7-4-5(8)2-3-6(7)9;1-2(3)4/h2-4,8-9H,1H3;1H3,(H,3,4)
InChIKeyYRENLMOURONSGF-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.20
Rot. Bonds1

About acetic acid;2-methoxybenzene-1,4-diol

acetic acid;2-methoxybenzene-1,4-diol (PubChem CID 70568459) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is acetic acid;2-methoxybenzene-1,4-diol.

Molecular Properties

Compound Nameacetic acid;2-methoxybenzene-1,4-diol
PubChem CID70568459
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameacetic acid;2-methoxybenzene-1,4-diol
SMILESCC(=O)O.COc1cc(O)ccc1O
InChIInChI=1S/C7H8O3.C2H4O2/c1-10-7-4-5(8)2-3-6(7)9;1-2(3)4/h2-4,8-9H,1H3;1H3,(H,3,4)
InChIKeyYRENLMOURONSGF-UHFFFAOYSA-N
XLogP1.20
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-hydroxy-3-methoxybenzoic acid;hydrate
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4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
(E)-4-hydroxy-3-(4-hydroxy-3-methoxyphenyl)sulfanylpent-3-en-2-one
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(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
2-methoxyphenol;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methoxybenzene-1,4-diol?
The IUPAC name of acetic acid;2-methoxybenzene-1,4-diol (CID 70568459) is acetic acid;2-methoxybenzene-1,4-diol.
What is the SMILES notation for acetic acid;2-methoxybenzene-1,4-diol?
The canonical SMILES for acetic acid;2-methoxybenzene-1,4-diol is CC(=O)O.COc1cc(O)ccc1O.
What is the InChIKey of acetic acid;2-methoxybenzene-1,4-diol?
The InChIKey is YRENLMOURONSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C2H4O2/c1-10-7-4-5(8)2-3-6(7)9;1-2(3)4/h2-4,8-9H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methoxybenzene-1,4-diol?
acetic acid;2-methoxybenzene-1,4-diol has a molecular weight of 200.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methoxybenzene-1,4-diol is sourced from PubChem (CID 70568459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).