4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine

C24H22FNO3 — CID 70169765

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1F
InChIInChI=1S/C24H22FNO3/c1-27-23-8-6-16(14-20(23)25)22-9-7-19-17-4-2-3-5-18(17)21(15-24(19)29-22)26-10-12-28-13-11-26/h2-9,14-15,22H,10-13H2,1H3
InChIKeyCZGWCSDGMFWYFT-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.97
Rot. Bonds3

About 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine

4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine (PubChem CID 70169765) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine
PubChem CID70169765
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1F
InChIInChI=1S/C24H22FNO3/c1-27-23-8-6-16(14-20(23)25)22-9-7-19-17-4-2-3-5-18(17)21(15-24(19)29-22)26-10-12-28-13-11-26/h2-9,14-15,22H,10-13H2,1H3
InChIKeyCZGWCSDGMFWYFT-UHFFFAOYSA-N
XLogP4.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine (CID 70169765) is 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine is COc1ccc(C2C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine?
The InChIKey is CZGWCSDGMFWYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-27-23-8-6-16(14-20(23)25)22-9-7-19-17-4-2-3-5-18(17)21(15-24(19)29-22)26-10-12-28-13-11-26/h2-9,14-15,22H,10-13H2,1H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine?
4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine has a molecular weight of 391.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 70169765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).