3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one

C18H11FO3 — CID 135031779

IUPAC3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12
InChIInChI=1S/C18H11FO3/c1-10-15(11-6-2-4-8-13(11)19)16-17(21-10)12-7-3-5-9-14(12)22-18(16)20/h2-9H,1H3
InChIKeyOHWOKNNZYZMLIE-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.65
Rot. Bonds1

About 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one

3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one (PubChem CID 135031779) has the molecular formula C18H11FO3 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one
PubChem CID135031779
Molecular FormulaC18H11FO3
Molecular Weight294.28 g/mol
Exact Mass294.07
IUPAC Name3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one
SMILESCc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12
InChIInChI=1S/C18H11FO3/c1-10-15(11-6-2-4-8-13(11)19)16-17(21-10)12-7-3-5-9-14(12)22-18(16)20/h2-9H,1H3
InChIKeyOHWOKNNZYZMLIE-UHFFFAOYSA-N
XLogP4.65
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
dibenzofuran-1-ol;2-(2-fluorophenyl)benzene-1,3-diol
CID 158363428
2-(benzylamino)-3-(2-chloro-6-fluorophenyl)furo[3,2-c]chromen-4-one
CID 18887657
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one
CID 142746632
2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
CID 18887562
ethane;4-(2-fluorophenyl)-1H-[1]benzofuro[3,2-b]pyridin-2-one
CID 144861965
8-fluoro-9-methylbenzo[c]chromen-6-one
CID 164685719
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
2-(2,4-dimethylanilino)-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
CID 18887624
2-ethyl-5-fluoro-3-(2-fluorophenyl)chromen-4-one
CID 89154232

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one (CID 135031779) is 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one is Cc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12.
What is the InChIKey of 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one?
The InChIKey is OHWOKNNZYZMLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO3/c1-10-15(11-6-2-4-8-13(11)19)16-17(21-10)12-7-3-5-9-14(12)22-18(16)20/h2-9H,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one?
3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one has a molecular weight of 294.28 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 135031779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).