2,5-bis(cyclohexylideneamino)benzene-1,4-diol

C18H24N2O2 — CID 23026463

IUPAC2,5-bis(cyclohexylideneamino)benzene-1,4-diol
SMILESOc1cc(N=C2CCCCC2)c(O)cc1N=C1CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h11-12,21-22H,1-10H2
InChIKeyLPSBKXSTRPZBNB-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.17
Rot. Bonds2

About 2,5-bis(cyclohexylideneamino)benzene-1,4-diol

2,5-bis(cyclohexylideneamino)benzene-1,4-diol (PubChem CID 23026463) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,5-bis(cyclohexylideneamino)benzene-1,4-diol.

Molecular Properties

Compound Name2,5-bis(cyclohexylideneamino)benzene-1,4-diol
PubChem CID23026463
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2,5-bis(cyclohexylideneamino)benzene-1,4-diol
SMILESOc1cc(N=C2CCCCC2)c(O)cc1N=C1CCCCC1
InChIInChI=1S/C18H24N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h11-12,21-22H,1-10H2
InChIKeyLPSBKXSTRPZBNB-UHFFFAOYSA-N
XLogP5.17
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(cyclohexylideneamino)benzene-1,4-diol?
The IUPAC name of 2,5-bis(cyclohexylideneamino)benzene-1,4-diol (CID 23026463) is 2,5-bis(cyclohexylideneamino)benzene-1,4-diol.
What is the SMILES notation for 2,5-bis(cyclohexylideneamino)benzene-1,4-diol?
The canonical SMILES for 2,5-bis(cyclohexylideneamino)benzene-1,4-diol is Oc1cc(N=C2CCCCC2)c(O)cc1N=C1CCCCC1.
What is the InChIKey of 2,5-bis(cyclohexylideneamino)benzene-1,4-diol?
The InChIKey is LPSBKXSTRPZBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h11-12,21-22H,1-10H2.
What are the key properties of 2,5-bis(cyclohexylideneamino)benzene-1,4-diol?
2,5-bis(cyclohexylideneamino)benzene-1,4-diol has a molecular weight of 300.40 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(cyclohexylideneamino)benzene-1,4-diol is sourced from PubChem (CID 23026463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).