benzene-1,4-diol

C6H6O2 — CID 785

💊View drug profile → hydroquinone
IUPACbenzene-1,4-diol
SMILESOc1ccc(O)cc1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-N
MW110.11 g/mol
LogP1.10
Rot. Bonds

About benzene-1,4-diol

benzene-1,4-diol (PubChem CID 785) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is benzene-1,4-diol.

Molecular Properties

Compound Namebenzene-1,4-diol
PubChem CID785
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Namebenzene-1,4-diol
SMILESOc1ccc(O)cc1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenol
CID 996
Catechol
CID 289
Resorcinol
CID 5054
Phloroglucinol
CID 359
4-Methoxyphenol
CID 9015
Phenolate Sodium
CID 4445035
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
2,4,6-Triiodophenol
CID 11862

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol?
The IUPAC name of benzene-1,4-diol (CID 785) is benzene-1,4-diol.
What is the SMILES notation for benzene-1,4-diol?
The canonical SMILES for benzene-1,4-diol is Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol?
The InChIKey is QIGBRXMKCJKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H.
What are the key properties of benzene-1,4-diol?
benzene-1,4-diol has a molecular weight of 110.11 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol is sourced from PubChem (CID 785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).