benzene-1,4-diol;hydron

C6H7O2+ — CID 137356428

IUPACbenzene-1,4-diol;hydron
SMILESOc1ccc(O)cc1.[H+]
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-O
MW111.12 g/mol
LogP1.21
Rot. Bonds

About benzene-1,4-diol;hydron

benzene-1,4-diol;hydron (PubChem CID 137356428) has the molecular formula C6H7O2+ and a molecular weight of 111.12 g/mol. Its IUPAC name is benzene-1,4-diol;hydron.

Molecular Properties

Compound Namebenzene-1,4-diol;hydron
PubChem CID137356428
Molecular FormulaC6H7O2+
Molecular Weight111.12 g/mol
Exact Mass111.04
IUPAC Namebenzene-1,4-diol;hydron
SMILESOc1ccc(O)cc1.[H+]
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1
InChIKeyQIGBRXMKCJKVMJ-UHFFFAOYSA-O
XLogP1.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.12
LogP ≤ 51.21
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

argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
(4-hydroxyphenyl)astatine
CID 12666826
benzene-1,4-diol;phosphoric acid
CID 87092335
bis(benzene-1,4-diol);hydroxy(oxo)phosphanium
CID 161269538
4-chlorophenol
CID 4684
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;hydron?
The IUPAC name of benzene-1,4-diol;hydron (CID 137356428) is benzene-1,4-diol;hydron.
What is the SMILES notation for benzene-1,4-diol;hydron?
The canonical SMILES for benzene-1,4-diol;hydron is Oc1ccc(O)cc1.[H+].
What is the InChIKey of benzene-1,4-diol;hydron?
The InChIKey is QIGBRXMKCJKVMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1.
What are the key properties of benzene-1,4-diol;hydron?
benzene-1,4-diol;hydron has a molecular weight of 111.12 g/mol, XLogP of 1.21, 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;hydron is sourced from PubChem (CID 137356428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).