3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one

C20H13FO3 — CID 1121024

IUPAC3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3cccc(F)c3)ccc2c2ccccc12
InChIInChI=1S/C20H13FO3/c21-14-5-3-4-13(10-14)12-23-15-8-9-17-16-6-1-2-7-18(16)20(22)24-19(17)11-15/h1-11H,12H2
InChIKeyVYFXGHOXNACFHC-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.66
Rot. Bonds3

About 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one

3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one (PubChem CID 1121024) has the molecular formula C20H13FO3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
PubChem CID1121024
Molecular FormulaC20H13FO3
Molecular Weight320.32 g/mol
Exact Mass320.08
IUPAC Name3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
SMILESO=c1oc2cc(OCc3cccc(F)c3)ccc2c2ccccc12
InChIInChI=1S/C20H13FO3/c21-14-5-3-4-13(10-14)12-23-15-8-9-17-16-6-1-2-7-18(16)20(22)24-19(17)11-15/h1-11H,12H2
InChIKeyVYFXGHOXNACFHC-UHFFFAOYSA-N
XLogP4.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
3-[(2-chlorophenyl)methoxy]benzo[c]chromen-6-one
CID 746170
2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
CID 11948020
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
3-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]benzo[c]chromen-6-one
CID 1332741
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
3-[3-(4-benzylpiperazin-1-yl)propoxy]benzo[c]chromen-6-one;dihydrochloride
CID 90357517

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one (CID 1121024) is 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one is O=c1oc2cc(OCc3cccc(F)c3)ccc2c2ccccc12.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one?
The InChIKey is VYFXGHOXNACFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FO3/c21-14-5-3-4-13(10-14)12-23-15-8-9-17-16-6-1-2-7-18(16)20(22)24-19(17)11-15/h1-11H,12H2.
What are the key properties of 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one?
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one has a molecular weight of 320.32 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 1121024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).