4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol

C14H13NO2 — CID 165339894

IUPAC4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol
SMILES[H]/N=C(\c1ccccc1)c1c(C)cc(O)cc1O
InChIInChI=1S/C14H13NO2/c1-9-7-11(16)8-12(17)13(9)14(15)10-5-3-2-4-6-10/h2-8,15-17H,1H3/b15-14+
InChIKeyCDNZKBYJWGGIRW-CCEZHUSRSA-N
MW227.26 g/mol
LogP2.82
Rot. Bonds2

About 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol

4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol (PubChem CID 165339894) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol
PubChem CID165339894
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol
SMILES[H]/N=C(\c1ccccc1)c1c(C)cc(O)cc1O
InChIInChI=1S/C14H13NO2/c1-9-7-11(16)8-12(17)13(9)14(15)10-5-3-2-4-6-10/h2-8,15-17H,1H3/b15-14+
InChIKeyCDNZKBYJWGGIRW-CCEZHUSRSA-N
XLogP2.82
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.82
H-Bond Donors ≤ 53
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-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol?
The IUPAC name of 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol (CID 165339894) is 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol?
The canonical SMILES for 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol is [H]/N=C(\c1ccccc1)c1c(C)cc(O)cc1O.
What is the InChIKey of 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol?
The InChIKey is CDNZKBYJWGGIRW-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-7-11(16)8-12(17)13(9)14(15)10-5-3-2-4-6-10/h2-8,15-17H,1H3/b15-14+.
What are the key properties of 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol?
4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenecarboximidoyl)-5-methylbenzene-1,3-diol is sourced from PubChem (CID 165339894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).