benzene-1,4-diol;cyclohex-2-ene-1,4-diol

C12H16O4 — CID 159375181

IUPACbenzene-1,4-diol;cyclohex-2-ene-1,4-diol
SMILESOC1C=CC(O)CC1.Oc1ccc(O)cc1
InChIInChI=1S/C6H10O2.C6H6O2/c2*7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2;1-4,7-8H
InChIKeyLKFLCQKAVOUFIR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.16
Rot. Bonds

About benzene-1,4-diol;cyclohex-2-ene-1,4-diol

benzene-1,4-diol;cyclohex-2-ene-1,4-diol (PubChem CID 159375181) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is benzene-1,4-diol;cyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Namebenzene-1,4-diol;cyclohex-2-ene-1,4-diol
PubChem CID159375181
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namebenzene-1,4-diol;cyclohex-2-ene-1,4-diol
SMILESOC1C=CC(O)CC1.Oc1ccc(O)cc1
InChIInChI=1S/C6H10O2.C6H6O2/c2*7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2;1-4,7-8H
InChIKeyLKFLCQKAVOUFIR-UHFFFAOYSA-N
XLogP1.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-hydroxyphenyl)iodanium
CID 19068687
argon;benzene-1,4-diol
CID 71441175
CID 158795306
CID 158795306
benzene-1,4-diol;hydron
CID 137356428
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
disodium;benzene-1,4-diol;hydride
CID 173178650
calcium;benzene-1,4-diol;hydride
CID 173044185
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]-[(4R)-4-hydroxycyclohex-2-en-1-yl]methanone
CID 90147758
4-[[(1R,2R)-2-hydroxycyclobutyl]amino]phenol
CID 131701513
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
CID 86168962
4-[3,5-bis(4-hydroxyphenyl)-1,3,5-triazinan-1-yl]phenol
CID 130393627
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;cyclohex-2-ene-1,4-diol?
The IUPAC name of benzene-1,4-diol;cyclohex-2-ene-1,4-diol (CID 159375181) is benzene-1,4-diol;cyclohex-2-ene-1,4-diol.
What is the SMILES notation for benzene-1,4-diol;cyclohex-2-ene-1,4-diol?
The canonical SMILES for benzene-1,4-diol;cyclohex-2-ene-1,4-diol is OC1C=CC(O)CC1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;cyclohex-2-ene-1,4-diol?
The InChIKey is LKFLCQKAVOUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C6H6O2/c2*7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2;1-4,7-8H.
What are the key properties of benzene-1,4-diol;cyclohex-2-ene-1,4-diol?
benzene-1,4-diol;cyclohex-2-ene-1,4-diol has a molecular weight of 224.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 159375181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).