5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol

C22H17NO2 — CID 142965156

IUPAC5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
SMILES[H]N=C1c2ccccc2C(=Cc2ccc(OC)c(O)c2)c2ccccc21
InChIInChI=1S/C22H17NO2/c1-25-21-11-10-14(13-20(21)24)12-19-15-6-2-4-8-17(15)22(23)18-9-5-3-7-16(18)19/h2-13,23-24H,1H3/b19-12-,23-22+
InChIKeyLHYGQECKYBCXCH-POJNRUHKSA-N
MW327.38 g/mol
LogP4.72
Rot. Bonds2

About 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol

5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol (PubChem CID 142965156) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
PubChem CID142965156
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol
SMILES[H]N=C1c2ccccc2C(=Cc2ccc(OC)c(O)c2)c2ccccc21
InChIInChI=1S/C22H17NO2/c1-25-21-11-10-14(13-20(21)24)12-19-15-6-2-4-8-17(15)22(23)18-9-5-3-7-16(18)19/h2-13,23-24H,1H3/b19-12-,23-22+
InChIKeyLHYGQECKYBCXCH-POJNRUHKSA-N
XLogP4.72
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_quin_methide(10)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 30589330
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
2-[(4Z)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]acetate
CID 9367852
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
5-methanimidoyl-2-methoxyphenol
CID 23221891
5-(indolo[2,1-a]isoquinolin-7-ium-12-ylidenemethyl)-2-methoxyphenol
CID 68833829
8-[(3-hydroxy-4-methoxyphenyl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 4526453
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2201806
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920

Frequently Asked Questions

What is the IUPAC name of 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol (CID 142965156) is 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol is [H]N=C1c2ccccc2C(=Cc2ccc(OC)c(O)c2)c2ccccc21.
What is the InChIKey of 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol?
The InChIKey is LHYGQECKYBCXCH-POJNRUHKSA-N. The full InChI is InChI=1S/C22H17NO2/c1-25-21-11-10-14(13-20(21)24)12-19-15-6-2-4-8-17(15)22(23)18-9-5-3-7-16(18)19/h2-13,23-24H,1H3/b19-12-,23-22+.
What are the key properties of 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol?
5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol has a molecular weight of 327.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(10-iminoanthracen-9-ylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 142965156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).