benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene

C9H8Cl4O5 — CID 88675823

IUPACbenzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene
SMILESClC(Cl)=C(Cl)Cl.O=C(O)O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2Cl4.CH2O3/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;2-1(3)4/h1-4,7-8H;;(H2,2,3,4)
InChIKeyWEMVXIKGBYDQAB-UHFFFAOYSA-N
MW337.97 g/mol
LogP4.39
Rot. Bonds

About benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene

benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene (PubChem CID 88675823) has the molecular formula C9H8Cl4O5 and a molecular weight of 337.97 g/mol. Its IUPAC name is benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene.

Molecular Properties

Compound Namebenzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene
PubChem CID88675823
Molecular FormulaC9H8Cl4O5
Molecular Weight337.97 g/mol
Exact Mass335.91
IUPAC Namebenzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene
SMILESClC(Cl)=C(Cl)Cl.O=C(O)O.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2Cl4.CH2O3/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;2-1(3)4/h1-4,7-8H;;(H2,2,3,4)
InChIKeyWEMVXIKGBYDQAB-UHFFFAOYSA-N
XLogP4.39
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.97
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene?
The IUPAC name of benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene (CID 88675823) is benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene.
What is the SMILES notation for benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene?
The canonical SMILES for benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene is ClC(Cl)=C(Cl)Cl.O=C(O)O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene?
The InChIKey is WEMVXIKGBYDQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2Cl4.CH2O3/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;2-1(3)4/h1-4,7-8H;;(H2,2,3,4).
What are the key properties of benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene?
benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene has a molecular weight of 337.97 g/mol, XLogP of 4.39, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene is sourced from PubChem (CID 88675823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).