7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one

C18H15FO3 — CID 744840

IUPAC7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3ccccc3F)cc2oc1=O
InChIInChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-14(7-8-15(11)17)21-10-13-5-3-4-6-16(13)19/h3-9H,10H2,1-2H3
InChIKeyBWVRKJLXVDNYTA-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.13
Rot. Bonds3

About 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one

7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 744840) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID744840
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3ccccc3F)cc2oc1=O
InChIInChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-14(7-8-15(11)17)21-10-13-5-3-4-6-16(13)19/h3-9H,10H2,1-2H3
InChIKeyBWVRKJLXVDNYTA-UHFFFAOYSA-N
XLogP4.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
3,4-dimethyl-7-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)methoxy]chromen-2-one
CID 71455459
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
7-[[3-(1-methoxyethyl)-1,2-oxazol-5-yl]methoxy]-3,4-dimethylchromen-2-one
CID 15066951
4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione
CID 11483337
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one (CID 744840) is 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(OCc3ccccc3F)cc2oc1=O.
What is the InChIKey of 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is BWVRKJLXVDNYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-14(7-8-15(11)17)21-10-13-5-3-4-6-16(13)19/h3-9H,10H2,1-2H3.
What are the key properties of 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one?
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 298.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 744840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).