4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol

C20H18N2O — CID 135621406

IUPAC4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+
InChIKeyLPFRQQSAVVOOFW-FYJGNVAPSA-N
MW302.38 g/mol
LogP4.57
Rot. Bonds2

About 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol

4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol (PubChem CID 135621406) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol
PubChem CID135621406
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+
InChIKeyLPFRQQSAVVOOFW-FYJGNVAPSA-N
XLogP4.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acrisorcin
CID 24144
Tan-67
CID 9950038
4-(9-Acridinylamino)phenol
CID 148949
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520
Phenol, m-(9-acridinylamino)-
CID 148525
3-Acridinol
CID 135611794
3-[(4Ar,12aS)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol
CID 9911115
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol?
The IUPAC name of 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol (CID 135621406) is 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol?
The canonical SMILES for 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol is Oc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol?
The InChIKey is LPFRQQSAVVOOFW-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+.
What are the key properties of 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol?
4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol has a molecular weight of 302.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroacridin-9-yliminomethyl)phenol is sourced from PubChem (CID 135621406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).