6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol

C10H11ClO3 — CID 91046162

IUPAC6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(O)c(C)c(=CCl)c(O)c1OC
InChIInChI=1S/C10H11ClO3/c1-5-7(4-11)9(13)10(14-3)6(2)8(5)12/h4,12-13H,2H2,1,3H3
InChIKeyHWGBLLBLBIDUGM-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.80
Rot. Bonds1

About 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol

6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol (PubChem CID 91046162) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
PubChem CID91046162
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(O)c(C)c(=CCl)c(O)c1OC
InChIInChI=1S/C10H11ClO3/c1-5-7(4-11)9(13)10(14-3)6(2)8(5)12/h4,12-13H,2H2,1,3H3
InChIKeyHWGBLLBLBIDUGM-UHFFFAOYSA-N
XLogP0.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol (CID 91046162) is 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol is C=c1c(O)c(C)c(=CCl)c(O)c1OC.
What is the InChIKey of 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The InChIKey is HWGBLLBLBIDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-5-7(4-11)9(13)10(14-3)6(2)8(5)12/h4,12-13H,2H2,1,3H3.
What are the key properties of 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol has a molecular weight of 214.65 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethylidene)-2-methoxy-5-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 91046162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).