12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one

C26H20O4 — CID 134102350

IUPAC12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
SMILESCOc1cc2c3ccc(C)cc3c(=O)oc2c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H20O4/c1-16-11-12-18-20-14-23(28-2)24-19(25(20)30-26(27)21(18)13-16)9-6-10-22(24)29-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3
InChIKeyWPOCRIMTGMIZRU-UHFFFAOYSA-N
MW396.44 g/mol
LogP6.00
Rot. Bonds4

About 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one

12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one (PubChem CID 134102350) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one.

Molecular Properties

Compound Name12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
PubChem CID134102350
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
SMILESCOc1cc2c3ccc(C)cc3c(=O)oc2c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H20O4/c1-16-11-12-18-20-14-23(28-2)24-19(25(20)30-26(27)21(18)13-16)9-6-10-22(24)29-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3
InChIKeyWPOCRIMTGMIZRU-UHFFFAOYSA-N
XLogP6.00
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?
The IUPAC name of 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one (CID 134102350) is 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one.
What is the SMILES notation for 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?
The canonical SMILES for 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one is COc1cc2c3ccc(C)cc3c(=O)oc2c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?
The InChIKey is WPOCRIMTGMIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4/c1-16-11-12-18-20-14-23(28-2)24-19(25(20)30-26(27)21(18)13-16)9-6-10-22(24)29-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3.
What are the key properties of 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one?
12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one has a molecular weight of 396.44 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one is sourced from PubChem (CID 134102350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).