2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

C9H10O2 — CID 54372198

IUPAC2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=C)c(C)c1O
InChIInChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-2H2,3H3
InChIKeyUTZKJQMTVVAPCO-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.23
Rot. Bonds

About 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (PubChem CID 54372198) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
PubChem CID54372198
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=C)c(C)c1O
InChIInChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-2H2,3H3
InChIKeyUTZKJQMTVVAPCO-UHFFFAOYSA-N
XLogP0.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.23
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

3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 53931519
2,5-Dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54305950
4,4-Dihydroxyphenylpropane
CID 66628745
2,4,6-Trimethylchinol
CID 68158760
(+)-cis-(1s,2r)-Dihydroxy-3-methylcyclohexa-3,5-diene
CID 69293094
2-(Difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 90939794
5,5-Dimethylcyclohexa-1,3-diene-1,3-diol
CID 220834
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
CID 135566303
(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol
CID 169410461
6-Methylideneinden-5-ol
CID 90744728
2,5-Bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
CID 90844568
2-Methyl-3,5-dimethylidenenaphthalene-1,4-diol
CID 90856787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (CID 54372198) is 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is C=c1cc(O)c(=C)c(C)c1O.
What is the InChIKey of 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The InChIKey is UTZKJQMTVVAPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-2H2,3H3.
What are the key properties of 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol has a molecular weight of 150.18 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 54372198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).