carbonic acid;2,3,5-trimethylbenzene-1,4-diol

C11H16O8 — CID 174747915

IUPACcarbonic acid;2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.O=C(O)O.O=C(O)O
InChIInChI=1S/C9H12O2.2CH2O3/c1-5-4-8(10)6(2)7(3)9(5)11;2*2-1(3)4/h4,10-11H,1-3H3;2*(H2,2,3,4)
InChIKeyWAMMDYPJOHEBEP-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.47
Rot. Bonds

About carbonic acid;2,3,5-trimethylbenzene-1,4-diol

carbonic acid;2,3,5-trimethylbenzene-1,4-diol (PubChem CID 174747915) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is carbonic acid;2,3,5-trimethylbenzene-1,4-diol.

Molecular Properties

Compound Namecarbonic acid;2,3,5-trimethylbenzene-1,4-diol
PubChem CID174747915
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Namecarbonic acid;2,3,5-trimethylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(C)c1O.O=C(O)O.O=C(O)O
InChIInChI=1S/C9H12O2.2CH2O3/c1-5-4-8(10)6(2)7(3)9(5)11;2*2-1(3)4/h4,10-11H,1-3H3;2*(H2,2,3,4)
InChIKeyWAMMDYPJOHEBEP-UHFFFAOYSA-N
XLogP2.47
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.24
LogP ≤ 52.47
H-Bond Donors ≤ 56
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 carbonic acid;2,3,5-trimethylbenzene-1,4-diol?
The IUPAC name of carbonic acid;2,3,5-trimethylbenzene-1,4-diol (CID 174747915) is carbonic acid;2,3,5-trimethylbenzene-1,4-diol.
What is the SMILES notation for carbonic acid;2,3,5-trimethylbenzene-1,4-diol?
The canonical SMILES for carbonic acid;2,3,5-trimethylbenzene-1,4-diol is Cc1cc(O)c(C)c(C)c1O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2,3,5-trimethylbenzene-1,4-diol?
The InChIKey is WAMMDYPJOHEBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.2CH2O3/c1-5-4-8(10)6(2)7(3)9(5)11;2*2-1(3)4/h4,10-11H,1-3H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;2,3,5-trimethylbenzene-1,4-diol?
carbonic acid;2,3,5-trimethylbenzene-1,4-diol has a molecular weight of 276.24 g/mol, XLogP of 2.47, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,3,5-trimethylbenzene-1,4-diol is sourced from PubChem (CID 174747915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).