2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol

C20H17NO2 — CID 4120706

IUPAC2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O
InChIInChI=1S/C20H17NO2/c1-23-18-7-3-5-15(20(18)22)12-21-17-11-10-14-9-8-13-4-2-6-16(17)19(13)14/h2-7,10-12,22H,8-9H2,1H3/b21-12+
InChIKeyYQKNTKDTZREQNN-CIAFOILYSA-N
MW303.36 g/mol
LogP4.40
Rot. Bonds3

About 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol

2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol (PubChem CID 4120706) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
PubChem CID4120706
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O
InChIInChI=1S/C20H17NO2/c1-23-18-7-3-5-15(20(18)22)12-21-17-11-10-14-9-8-13-4-2-6-16(17)19(13)14/h2-7,10-12,22H,8-9H2,1H3/b21-12+
InChIKeyYQKNTKDTZREQNN-CIAFOILYSA-N
XLogP4.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.40
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

2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
3,5-dibromo-4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenol
CID 3465269
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)
CID 140556770

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol (CID 4120706) is 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol?
The InChIKey is YQKNTKDTZREQNN-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-18-7-3-5-15(20(18)22)12-21-17-11-10-14-9-8-13-4-2-6-16(17)19(13)14/h2-7,10-12,22H,8-9H2,1H3/b21-12+.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol?
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol has a molecular weight of 303.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 4120706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).