1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one

C23H20O2 — CID 166436846

IUPAC1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one
SMILESCc1ccccc1-c1cc(C)c2c(oc(=O)c3cccc(C)c32)c1C
InChIInChI=1S/C23H20O2/c1-13-8-5-6-10-17(13)19-12-15(3)21-20-14(2)9-7-11-18(20)23(24)25-22(21)16(19)4/h5-12H,1-4H3
InChIKeyLMLDBIOHZGCDGU-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.85
Rot. Bonds1

About 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one

1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one (PubChem CID 166436846) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one
PubChem CID166436846
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one
SMILESCc1ccccc1-c1cc(C)c2c(oc(=O)c3cccc(C)c32)c1C
InChIInChI=1S/C23H20O2/c1-13-8-5-6-10-17(13)19-12-15(3)21-20-14(2)9-7-11-18(20)23(24)25-22(21)16(19)4/h5-12H,1-4H3
InChIKeyLMLDBIOHZGCDGU-UHFFFAOYSA-N
XLogP5.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one?
The IUPAC name of 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one (CID 166436846) is 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one.
What is the SMILES notation for 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one?
The canonical SMILES for 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one is Cc1ccccc1-c1cc(C)c2c(oc(=O)c3cccc(C)c32)c1C.
What is the InChIKey of 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one?
The InChIKey is LMLDBIOHZGCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-13-8-5-6-10-17(13)19-12-15(3)21-20-14(2)9-7-11-18(20)23(24)25-22(21)16(19)4/h5-12H,1-4H3.
What are the key properties of 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one?
1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one has a molecular weight of 328.41 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,10-trimethyl-3-(2-methylphenyl)benzo[c]chromen-6-one is sourced from PubChem (CID 166436846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).