2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol

C18H24N2O2 — CID 135501980

IUPAC2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/N=C2\CC3CCC2(C)C3(C)C)ccc1O
InChIInChI=1S/C18H24N2O2/c1-17(2)13-7-8-18(17,3)16(10-13)20-19-11-12-5-6-14(21)15(9-12)22-4/h5-6,9,11,13,21H,7-8,10H2,1-4H3/b19-11+,20-16+
InChIKeyFCFUFHMBJWTHIT-WBVBEWOVSA-N
MW300.40 g/mol
LogP4.02
Rot. Bonds3

About 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol

2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol (PubChem CID 135501980) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol
PubChem CID135501980
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/N=C2\CC3CCC2(C)C3(C)C)ccc1O
InChIInChI=1S/C18H24N2O2/c1-17(2)13-7-8-18(17,3)16(10-13)20-19-11-12-5-6-14(21)15(9-12)22-4/h5-6,9,11,13,21H,7-8,10H2,1-4H3/b19-11+,20-16+
InChIKeyFCFUFHMBJWTHIT-WBVBEWOVSA-N
XLogP4.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol (CID 135501980) is 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol is COc1cc(/C=N/N=C2\CC3CCC2(C)C3(C)C)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol?
The InChIKey is FCFUFHMBJWTHIT-WBVBEWOVSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2)13-7-8-18(17,3)16(10-13)20-19-11-12-5-6-14(21)15(9-12)22-4/h5-6,9,11,13,21H,7-8,10H2,1-4H3/b19-11+,20-16+.
What are the key properties of 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol?
2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135501980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).