4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine

C29H24FNO2 — CID 22590672

IUPAC4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine
SMILESFc1ccccc1C1(c2ccc(N3CCOCC3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C29H24FNO2/c30-27-8-4-3-7-26(27)29(22-10-12-23(13-11-22)31-17-19-32-20-18-31)16-15-25-24-6-2-1-5-21(24)9-14-28(25)33-29/h1-16H,17-20H2
InChIKeyLGDZZAWNCAXAPI-UHFFFAOYSA-N
MW437.51 g/mol
LogP6.16
Rot. Bonds3

About 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine

4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 22590672) has the molecular formula C29H24FNO2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine
PubChem CID22590672
Molecular FormulaC29H24FNO2
Molecular Weight437.51 g/mol
Exact Mass437.18
IUPAC Name4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine
SMILESFc1ccccc1C1(c2ccc(N3CCOCC3)cc2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C29H24FNO2/c30-27-8-4-3-7-26(27)29(22-10-12-23(13-11-22)31-17-19-32-20-18-31)16-15-25-24-6-2-1-5-21(24)9-14-28(25)33-29/h1-16H,17-20H2
InChIKeyLGDZZAWNCAXAPI-UHFFFAOYSA-N
XLogP6.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine (CID 22590672) is 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine is Fc1ccccc1C1(c2ccc(N3CCOCC3)cc2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine?
The InChIKey is LGDZZAWNCAXAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FNO2/c30-27-8-4-3-7-26(27)29(22-10-12-23(13-11-22)31-17-19-32-20-18-31)16-15-25-24-6-2-1-5-21(24)9-14-28(25)33-29/h1-16H,17-20H2.
What are the key properties of 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine?
4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 437.51 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 22590672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).