benzene-1,2,3-triol;1,2-xylene

C14H16O3 — CID 175355365

IUPACbenzene-1,2,3-triol;1,2-xylene
SMILESCc1ccccc1C.Oc1cccc(O)c1O
InChIInChI=1S/C8H10.C6H6O3/c1-7-5-3-4-6-8(7)2;7-4-2-1-3-5(8)6(4)9/h3-6H,1-2H3;1-3,7-9H
InChIKeyXSHKJMXHGKWKHE-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.11
Rot. Bonds

About benzene-1,2,3-triol;1,2-xylene

benzene-1,2,3-triol;1,2-xylene (PubChem CID 175355365) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzene-1,2,3-triol;1,2-xylene.

Molecular Properties

Compound Namebenzene-1,2,3-triol;1,2-xylene
PubChem CID175355365
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namebenzene-1,2,3-triol;1,2-xylene
SMILESCc1ccccc1C.Oc1cccc(O)c1O
InChIInChI=1S/C8H10.C6H6O3/c1-7-5-3-4-6-8(7)2;7-4-2-1-3-5(8)6(4)9/h3-6H,1-2H3;1-3,7-9H
InChIKeyXSHKJMXHGKWKHE-UHFFFAOYSA-N
XLogP3.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.11
H-Bond Donors ≤ 53
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-1,2,3-triol;1,2-xylene with MolForge

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

Launch Full Analysis

Related Compounds

3-methylbenzene-1,2-diol
CID 135381405
benzene-1,2,3-triol
CID 87074018
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760
benzene-1,2,3-triol;bismuthane
CID 174447840
1,2-xylene
CID 173422016
benzene-1,2,3-triol;tris(2-methylbenzenesulfonic acid)
CID 175309354
ethane;2-methylphenol
CID 54326461
benzene-1,2,3-triol;naphthalene
CID 157155506
zinc 2-methylphenol
CID 10374903
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
3-methylbenzene-1,2-diol;oxalic acid
CID 174606670
silver;1,2-xylene
CID 158486133

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-triol;1,2-xylene?
The IUPAC name of benzene-1,2,3-triol;1,2-xylene (CID 175355365) is benzene-1,2,3-triol;1,2-xylene.
What is the SMILES notation for benzene-1,2,3-triol;1,2-xylene?
The canonical SMILES for benzene-1,2,3-triol;1,2-xylene is Cc1ccccc1C.Oc1cccc(O)c1O.
What is the InChIKey of benzene-1,2,3-triol;1,2-xylene?
The InChIKey is XSHKJMXHGKWKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H6O3/c1-7-5-3-4-6-8(7)2;7-4-2-1-3-5(8)6(4)9/h3-6H,1-2H3;1-3,7-9H.
What are the key properties of benzene-1,2,3-triol;1,2-xylene?
benzene-1,2,3-triol;1,2-xylene has a molecular weight of 232.28 g/mol, XLogP of 3.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3-triol;1,2-xylene is sourced from PubChem (CID 175355365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).