4-chlorocyclohexa-1,5-diene-1,4-diol

C6H7ClO2 — CID 67943553

IUPAC4-chlorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(Cl)C=C1
InChIInChI=1S/C6H7ClO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4H2
InChIKeyIHLHXINGMCKLJO-UHFFFAOYSA-N
MW146.57 g/mol
LogP1.32
Rot. Bonds

About 4-chlorocyclohexa-1,5-diene-1,4-diol

4-chlorocyclohexa-1,5-diene-1,4-diol (PubChem CID 67943553) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is 4-chlorocyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-chlorocyclohexa-1,5-diene-1,4-diol
PubChem CID67943553
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name4-chlorocyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(Cl)C=C1
InChIInChI=1S/C6H7ClO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4H2
InChIKeyIHLHXINGMCKLJO-UHFFFAOYSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.32
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-Chlorophenol
CID 18445623
1,3,5-Trichlorocyclohexa-2,4-dien-1-ol
CID 18947730
p-Dichlorphenol
CID 20083748
p-Dihydroxyphenol
CID 22644296
Metadichlorophenol
CID 60161450
1,3-Dichlorohydroquinone
CID 66958980
1,6-Dichlorophenol
CID 129777568
1,4,5-Trichlorphenol
CID 129889227
4-Chloro-1-fluorophenol
CID 22482861
4-Chloro-6-fluorocyclohexa-1,5-diene-1,4-diol
CID 70199417
1-Chloro-3-fluorocyclohexa-2,4-dien-1-ol
CID 149975152
5-Chloro-1-fluorocyclohexa-3,5-diene-1,3-diol
CID 150841056

Frequently Asked Questions

What is the IUPAC name of 4-chlorocyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-chlorocyclohexa-1,5-diene-1,4-diol (CID 67943553) is 4-chlorocyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-chlorocyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-chlorocyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)(Cl)C=C1.
What is the InChIKey of 4-chlorocyclohexa-1,5-diene-1,4-diol?
The InChIKey is IHLHXINGMCKLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2/c7-6(9)3-1-5(8)2-4-6/h1-3,8-9H,4H2.
What are the key properties of 4-chlorocyclohexa-1,5-diene-1,4-diol?
4-chlorocyclohexa-1,5-diene-1,4-diol has a molecular weight of 146.57 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 67943553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).