5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione

C27H20O5 — CID 122183436

IUPAC5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione
SMILESCc1cc2c(c3oc(=O)c(-c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O
InChIInChI=1S/C27H20O5/c1-14(2)31-21-11-7-10-17-22(21)25(29)23-20(24(17)28)12-15(3)18-13-19(27(30)32-26(18)23)16-8-5-4-6-9-16/h4-14H,1-3H3
InChIKeyUGPMZVLPNAUBJK-UHFFFAOYSA-N
MW424.45 g/mol
LogP5.33
Rot. Bonds3

About 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione

5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione (PubChem CID 122183436) has the molecular formula C27H20O5 and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione.

Molecular Properties

Compound Name5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione
PubChem CID122183436
Molecular FormulaC27H20O5
Molecular Weight424.45 g/mol
Exact Mass424.13
IUPAC Name5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione
SMILESCc1cc2c(c3oc(=O)c(-c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O
InChIInChI=1S/C27H20O5/c1-14(2)31-21-11-7-10-17-22(21)25(29)23-20(24(17)28)12-15(3)18-13-19(27(30)32-26(18)23)16-8-5-4-6-9-16/h4-14H,1-3H3
InChIKeyUGPMZVLPNAUBJK-UHFFFAOYSA-N
XLogP5.33
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione?
The IUPAC name of 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione (CID 122183436) is 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione.
What is the SMILES notation for 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione?
The canonical SMILES for 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione is Cc1cc2c(c3oc(=O)c(-c4ccccc4)cc13)C(=O)c1c(OC(C)C)cccc1C2=O.
What is the InChIKey of 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione?
The InChIKey is UGPMZVLPNAUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O5/c1-14(2)31-21-11-7-10-17-22(21)25(29)23-20(24(17)28)12-15(3)18-13-19(27(30)32-26(18)23)16-8-5-4-6-9-16/h4-14H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione?
5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione has a molecular weight of 424.45 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-11-propan-2-yloxynaphtho[2,3-h]chromene-2,7,12-trione is sourced from PubChem (CID 122183436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).