8-fluoro-9-methylbenzo[c]chromen-6-one

C14H9FO2 — CID 164685719

IUPAC8-fluoro-9-methylbenzo[c]chromen-6-one
SMILESCc1cc2c(cc1F)c(=O)oc1ccccc12
InChIInChI=1S/C14H9FO2/c1-8-6-10-9-4-2-3-5-13(9)17-14(16)11(10)7-12(8)15/h2-7H,1H3
InChIKeyWYHDZMNCDZNUPG-UHFFFAOYSA-N
MW228.22 g/mol
LogP3.39
Rot. Bonds

About 8-fluoro-9-methylbenzo[c]chromen-6-one

8-fluoro-9-methylbenzo[c]chromen-6-one (PubChem CID 164685719) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 8-fluoro-9-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-fluoro-9-methylbenzo[c]chromen-6-one
PubChem CID164685719
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name8-fluoro-9-methylbenzo[c]chromen-6-one
SMILESCc1cc2c(cc1F)c(=O)oc1ccccc12
InChIInChI=1S/C14H9FO2/c1-8-6-10-9-4-2-3-5-13(9)17-14(16)11(10)7-12(8)15/h2-7H,1H3
InChIKeyWYHDZMNCDZNUPG-UHFFFAOYSA-N
XLogP3.39
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.39
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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Related Compounds

8,9-dimethyl-2-phenylbenzo[c]chromen-6-one
CID 164686322
9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]chromen-6-one
CID 140838592
12-methyl-1,2,3,4-tetrahydronaphtho[1,2-c]chromen-5-one
CID 16754820
3-fluoro-2-methylbenzo[b]xanthen-12-one
CID 135179036
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
3-[(3-fluoro-4-methylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135485045
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-[2,3-bis(4-fluorophenyl)-4-(2-oxochromen-4-yl)cyclobutyl]-6-fluoro-7-methylchromen-2-one
CID 100959802
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
9-butylbenzo[c]chromen-6-one
CID 102375140
4-hydroxy-3-methylchromen-2-one
CID 54687016
9-(1-hydroxy-2,2-dimethylpropyl)benzo[c]chromen-6-one
CID 135069906

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-fluoro-9-methylbenzo[c]chromen-6-one (CID 164685719) is 8-fluoro-9-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-fluoro-9-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-fluoro-9-methylbenzo[c]chromen-6-one is Cc1cc2c(cc1F)c(=O)oc1ccccc12.
What is the InChIKey of 8-fluoro-9-methylbenzo[c]chromen-6-one?
The InChIKey is WYHDZMNCDZNUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c1-8-6-10-9-4-2-3-5-13(9)17-14(16)11(10)7-12(8)15/h2-7H,1H3.
What are the key properties of 8-fluoro-9-methylbenzo[c]chromen-6-one?
8-fluoro-9-methylbenzo[c]chromen-6-one has a molecular weight of 228.22 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 164685719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).