2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol

C21H17NO2 — CID 135596048

IUPAC2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)-c2ccccc2C3)c1O
InChIInChI=1S/C21H17NO2/c1-24-20-8-4-6-16(21(20)23)13-22-17-10-9-15-11-14-5-2-3-7-18(14)19(15)12-17/h2-10,12-13,23H,11H2,1H3/b22-13+
InChIKeyWOJHFQRGHKDSQC-LPYMAVHISA-N
MW315.37 g/mol
LogP4.72
Rot. Bonds3

About 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol

2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol (PubChem CID 135596048) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
PubChem CID135596048
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)-c2ccccc2C3)c1O
InChIInChI=1S/C21H17NO2/c1-24-20-8-4-6-16(21(20)23)13-22-17-10-9-15-11-14-5-2-3-7-18(14)19(15)12-17/h2-10,12-13,23H,11H2,1H3/b22-13+
InChIKeyWOJHFQRGHKDSQC-LPYMAVHISA-N
XLogP4.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.72
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

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
CID 135633846
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3996670
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol (CID 135596048) is 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2ccc3c(c2)-c2ccccc2C3)c1O.
What is the InChIKey of 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol?
The InChIKey is WOJHFQRGHKDSQC-LPYMAVHISA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-20-8-4-6-16(21(20)23)13-22-17-10-9-15-11-14-5-2-3-7-18(14)19(15)12-17/h2-10,12-13,23H,11H2,1H3/b22-13+.
What are the key properties of 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol?
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol has a molecular weight of 315.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 135596048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).