4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane

C14H23NO2 — CID 143589151

IUPAC4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
SMILESC/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;
InChIKeyZXBDSNFMMHCELQ-FNXZNAJJSA-N
MW237.34 g/mol
LogP3.69
Rot. Bonds2

About 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane

4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane (PubChem CID 143589151) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane.

Molecular Properties

Compound Name4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
PubChem CID143589151
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
SMILESC/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;
InChIKeyZXBDSNFMMHCELQ-FNXZNAJJSA-N
XLogP3.69
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane (CID 143589151) is 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane.
What is the SMILES notation for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The canonical SMILES for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane is C/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC.
What is the InChIKey of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The InChIKey is ZXBDSNFMMHCELQ-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;.
What are the key properties of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane has a molecular weight of 237.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane is sourced from PubChem (CID 143589151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).