benzene-1,2-diol;4-chlorobenzene-1,2-diol

C12H11ClO4 — CID 22153361

IUPACbenzene-1,2-diol;4-chlorobenzene-1,2-diol
SMILESOc1ccc(Cl)cc1O.Oc1ccccc1O
InChIInChI=1S/C6H5ClO2.C6H6O2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,8-9H;1-4,7-8H
InChIKeyGLWQZYROBSOYKD-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.85
Rot. Bonds

About benzene-1,2-diol;4-chlorobenzene-1,2-diol

benzene-1,2-diol;4-chlorobenzene-1,2-diol (PubChem CID 22153361) has the molecular formula C12H11ClO4 and a molecular weight of 254.67 g/mol. Its IUPAC name is benzene-1,2-diol;4-chlorobenzene-1,2-diol.

Molecular Properties

Compound Namebenzene-1,2-diol;4-chlorobenzene-1,2-diol
PubChem CID22153361
Molecular FormulaC12H11ClO4
Molecular Weight254.67 g/mol
Exact Mass254.03
IUPAC Namebenzene-1,2-diol;4-chlorobenzene-1,2-diol
SMILESOc1ccc(Cl)cc1O.Oc1ccccc1O
InChIInChI=1S/C6H5ClO2.C6H6O2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,8-9H;1-4,7-8H
InChIKeyGLWQZYROBSOYKD-UHFFFAOYSA-N
XLogP2.85
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
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2,4-dichlorophenol;phenol
CID 67451432
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CID 131883434
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
2,5-dichlorophenol;2-iodophenol
CID 70439012
4-chloro-2-diphenylphosphanylphenol
CID 88897558
1-bromo-2-chlorobenzene;2-bromo-4-chlorophenol
CID 175369538
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
CID 6393025
CID 6393025
5-chloro-2-(2,5-difluorophenyl)phenol
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2-tert-butyl-5-chlorophenol;titanium;dihydrochloride
CID 174423474

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;4-chlorobenzene-1,2-diol?
The IUPAC name of benzene-1,2-diol;4-chlorobenzene-1,2-diol (CID 22153361) is benzene-1,2-diol;4-chlorobenzene-1,2-diol.
What is the SMILES notation for benzene-1,2-diol;4-chlorobenzene-1,2-diol?
The canonical SMILES for benzene-1,2-diol;4-chlorobenzene-1,2-diol is Oc1ccc(Cl)cc1O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;4-chlorobenzene-1,2-diol?
The InChIKey is GLWQZYROBSOYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2.C6H6O2/c7-4-1-2-5(8)6(9)3-4;7-5-3-1-2-4-6(5)8/h1-3,8-9H;1-4,7-8H.
What are the key properties of benzene-1,2-diol;4-chlorobenzene-1,2-diol?
benzene-1,2-diol;4-chlorobenzene-1,2-diol has a molecular weight of 254.67 g/mol, XLogP of 2.85, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;4-chlorobenzene-1,2-diol is sourced from PubChem (CID 22153361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).