3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one

C15H10F2O2 — CID 167635603

IUPAC3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(C(F)F)ccc12
InChIInChI=1S/C15H10F2O2/c1-8-2-4-10-11-5-3-9(14(16)17)7-13(11)19-15(18)12(10)6-8/h2-7,14H,1H3
InChIKeyGZYBVUWNAUXSFK-UHFFFAOYSA-N
MW260.24 g/mol
LogP4.19
Rot. Bonds1

About 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one

3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one (PubChem CID 167635603) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
PubChem CID167635603
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)c(=O)oc1cc(C(F)F)ccc12
InChIInChI=1S/C15H10F2O2/c1-8-2-4-10-11-5-3-9(14(16)17)7-13(11)19-15(18)12(10)6-8/h2-7,14H,1H3
InChIKeyGZYBVUWNAUXSFK-UHFFFAOYSA-N
XLogP4.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 54.19
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 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one?
The IUPAC name of 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one (CID 167635603) is 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)c(=O)oc1cc(C(F)F)ccc12.
What is the InChIKey of 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one?
The InChIKey is GZYBVUWNAUXSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c1-8-2-4-10-11-5-3-9(14(16)17)7-13(11)19-15(18)12(10)6-8/h2-7,14H,1H3.
What are the key properties of 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one?
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one has a molecular weight of 260.24 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167635603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).