10-(2,4-dimethoxyphenyl)iminoanthracen-9-one

C22H17NO3 — CID 56665065

IUPAC10-(2,4-dimethoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C22H17NO3/c1-25-14-11-12-19(20(13-14)26-2)23-21-15-7-3-5-9-17(15)22(24)18-10-6-4-8-16(18)21/h3-13H,1-2H3
InChIKeyXTCGJWCGBWXHPE-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.42
Rot. Bonds3

About 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one

10-(2,4-dimethoxyphenyl)iminoanthracen-9-one (PubChem CID 56665065) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name10-(2,4-dimethoxyphenyl)iminoanthracen-9-one
PubChem CID56665065
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name10-(2,4-dimethoxyphenyl)iminoanthracen-9-one
SMILESCOc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C22H17NO3/c1-25-14-11-12-19(20(13-14)26-2)23-21-15-7-3-5-9-17(15)22(24)18-10-6-4-8-16(18)21/h3-13H,1-2H3
InChIKeyXTCGJWCGBWXHPE-UHFFFAOYSA-N
XLogP4.42
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one?
The IUPAC name of 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one (CID 56665065) is 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one.
What is the SMILES notation for 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one?
The canonical SMILES for 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one is COc1ccc(N=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1.
What is the InChIKey of 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one?
The InChIKey is XTCGJWCGBWXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-25-14-11-12-19(20(13-14)26-2)23-21-15-7-3-5-9-17(15)22(24)18-10-6-4-8-16(18)21/h3-13H,1-2H3.
What are the key properties of 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one?
10-(2,4-dimethoxyphenyl)iminoanthracen-9-one has a molecular weight of 343.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dimethoxyphenyl)iminoanthracen-9-one is sourced from PubChem (CID 56665065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).