8,9-dimethyl-2-phenylbenzo[c]chromen-6-one

C21H16O2 — CID 164686322

IUPAC8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
SMILESCc1cc2c(=O)oc3ccc(-c4ccccc4)cc3c2cc1C
InChIInChI=1S/C21H16O2/c1-13-10-17-18-12-16(15-6-4-3-5-7-15)8-9-20(18)23-21(22)19(17)11-14(13)2/h3-12H,1-2H3
InChIKeyHMPNEWGFXYQQEJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.23
Rot. Bonds1

About 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one

8,9-dimethyl-2-phenylbenzo[c]chromen-6-one (PubChem CID 164686322) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
PubChem CID164686322
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
SMILESCc1cc2c(=O)oc3ccc(-c4ccccc4)cc3c2cc1C
InChIInChI=1S/C21H16O2/c1-13-10-17-18-12-16(15-6-4-3-5-7-15)8-9-20(18)23-21(22)19(17)11-14(13)2/h3-12H,1-2H3
InChIKeyHMPNEWGFXYQQEJ-UHFFFAOYSA-N
XLogP5.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.23
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 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one?
The IUPAC name of 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one (CID 164686322) is 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one.
What is the SMILES notation for 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one?
The canonical SMILES for 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one is Cc1cc2c(=O)oc3ccc(-c4ccccc4)cc3c2cc1C.
What is the InChIKey of 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one?
The InChIKey is HMPNEWGFXYQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c1-13-10-17-18-12-16(15-6-4-3-5-7-15)8-9-20(18)23-21(22)19(17)11-14(13)2/h3-12H,1-2H3.
What are the key properties of 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one?
8,9-dimethyl-2-phenylbenzo[c]chromen-6-one has a molecular weight of 300.36 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2-phenylbenzo[c]chromen-6-one is sourced from PubChem (CID 164686322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).