2,4-dichlorocyclohexa-1,5-diene-1,4-diol

C6H6Cl2O2 — CID 66958980

IUPAC2,4-dichlorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=C(Cl)CC(O)(Cl)C=C1
InChIInChI=1S/C6H6Cl2O2/c7-4-3-6(8,10)2-1-5(4)9/h1-2,9-10H,3H2
InChIKeyOBSXRAKSRZFFQB-UHFFFAOYSA-N
MW181.02 g/mol
LogP1.88
Rot. Bonds

About 2,4-dichlorocyclohexa-1,5-diene-1,4-diol

2,4-dichlorocyclohexa-1,5-diene-1,4-diol (PubChem CID 66958980) has the molecular formula C6H6Cl2O2 and a molecular weight of 181.02 g/mol. Its IUPAC name is 2,4-dichlorocyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name2,4-dichlorocyclohexa-1,5-diene-1,4-diol
PubChem CID66958980
Molecular FormulaC6H6Cl2O2
Molecular Weight181.02 g/mol
Exact Mass179.97
IUPAC Name2,4-dichlorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=C(Cl)CC(O)(Cl)C=C1
InChIInChI=1S/C6H6Cl2O2/c7-4-3-6(8,10)2-1-5(4)9/h1-2,9-10H,3H2
InChIKeyOBSXRAKSRZFFQB-UHFFFAOYSA-N
XLogP1.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.02
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichlorocyclohexa-3,5-diene-1,3-diol
CID 70378057
4-chloro-2-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
CID 142737474
1-chlorocyclohexa-3,5-diene-1,3-diol
CID 69203457
3,5,5-trichloro-4H-pyridin-2-ol
CID 151112388
1,3,5-trichlorocyclohexa-2,4-dien-1-ol
CID 18947730
2-benzyl-4-chloro-4-hydroxycyclohexa-1,5-diene-1-carboxamide
CID 155670155
2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol
CID 86604246
3,6-dichloro-2H-pyran-4-ol
CID 175979955
1,5-dichloro-2-(chloromethyl)-5-methylcyclohexa-1,3-diene
CID 170558311
(5-chloro-5-hydroxycyclohexa-1,3-dien-1-yl)-phenylmethanone
CID 163213259
4H-naphthalene-1,3,4a-triol
CID 169291219
1,4-dichloro-6-cyclopropylcyclohexa-2,4-dien-1-ol
CID 174827742

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorocyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 2,4-dichlorocyclohexa-1,5-diene-1,4-diol (CID 66958980) is 2,4-dichlorocyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 2,4-dichlorocyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 2,4-dichlorocyclohexa-1,5-diene-1,4-diol is OC1=C(Cl)CC(O)(Cl)C=C1.
What is the InChIKey of 2,4-dichlorocyclohexa-1,5-diene-1,4-diol?
The InChIKey is OBSXRAKSRZFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O2/c7-4-3-6(8,10)2-1-5(4)9/h1-2,9-10H,3H2.
What are the key properties of 2,4-dichlorocyclohexa-1,5-diene-1,4-diol?
2,4-dichlorocyclohexa-1,5-diene-1,4-diol has a molecular weight of 181.02 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorocyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 66958980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).