benzene-1,4-diol;N,N-dimethylacetamide

C10H15NO3 — CID 139176364

IUPACbenzene-1,4-diol;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H9NO/c7-5-1-2-6(8)4-3-5;1-4(6)5(2)3/h1-4,7-8H;1-3H3
InChIKeyBDPZGNVDLKCYJX-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.19
Rot. Bonds

About benzene-1,4-diol;N,N-dimethylacetamide

benzene-1,4-diol;N,N-dimethylacetamide (PubChem CID 139176364) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is benzene-1,4-diol;N,N-dimethylacetamide.

Molecular Properties

Compound Namebenzene-1,4-diol;N,N-dimethylacetamide
PubChem CID139176364
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namebenzene-1,4-diol;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C4H9NO/c7-5-1-2-6(8)4-3-5;1-4(6)5(2)3/h1-4,7-8H;1-3H3
InChIKeyBDPZGNVDLKCYJX-UHFFFAOYSA-N
XLogP1.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.19
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 benzene-1,4-diol;N,N-dimethylacetamide?
The IUPAC name of benzene-1,4-diol;N,N-dimethylacetamide (CID 139176364) is benzene-1,4-diol;N,N-dimethylacetamide.
What is the SMILES notation for benzene-1,4-diol;N,N-dimethylacetamide?
The canonical SMILES for benzene-1,4-diol;N,N-dimethylacetamide is CC(=O)N(C)C.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;N,N-dimethylacetamide?
The InChIKey is BDPZGNVDLKCYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C4H9NO/c7-5-1-2-6(8)4-3-5;1-4(6)5(2)3/h1-4,7-8H;1-3H3.
What are the key properties of benzene-1,4-diol;N,N-dimethylacetamide?
benzene-1,4-diol;N,N-dimethylacetamide has a molecular weight of 197.23 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;N,N-dimethylacetamide is sourced from PubChem (CID 139176364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).