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

C9H9ClO2 — CID 91005922

IUPAC6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(O)cc(=CCl)c(O)c1C
InChIInChI=1S/C9H9ClO2/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3-4,11-12H,1H2,2H3
InChIKeyYMMVRAHISYIWCA-UHFFFAOYSA-N
MW184.62 g/mol
LogP0.79
Rot. Bonds

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

6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol (PubChem CID 91005922) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
PubChem CID91005922
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1c(O)cc(=CCl)c(O)c1C
InChIInChI=1S/C9H9ClO2/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3-4,11-12H,1H2,2H3
InChIKeyYMMVRAHISYIWCA-UHFFFAOYSA-N
XLogP0.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol (CID 91005922) is 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol is C=c1c(O)cc(=CCl)c(O)c1C.
What is the InChIKey of 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
The InChIKey is YMMVRAHISYIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3-4,11-12H,1H2,2H3.
What are the key properties of 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol?
6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol has a molecular weight of 184.62 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethylidene)-2-methyl-3-methylidenecyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 91005922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).