4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine

C32H28F3NO3 — CID 67708042

IUPAC4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(CC2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C32H28F3NO3/c1-37-25-12-6-22(7-13-25)21-31(23-8-10-24(11-9-23)32(33,34)35)15-14-28-26-4-2-3-5-27(26)29(20-30(28)39-31)36-16-18-38-19-17-36/h2-15,20H,16-19,21H2,1H3
InChIKeyJIOFHCNOLSXVAF-UHFFFAOYSA-N
MW531.57 g/mol
LogP7.25
Rot. Bonds5

About 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine

4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine (PubChem CID 67708042) has the molecular formula C32H28F3NO3 and a molecular weight of 531.57 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
PubChem CID67708042
Molecular FormulaC32H28F3NO3
Molecular Weight531.57 g/mol
Exact Mass531.20
IUPAC Name4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(CC2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1
InChIInChI=1S/C32H28F3NO3/c1-37-25-12-6-22(7-13-25)21-31(23-8-10-24(11-9-23)32(33,34)35)15-14-28-26-4-2-3-5-27(26)29(20-30(28)39-31)36-16-18-38-19-17-36/h2-15,20H,16-19,21H2,1H3
InChIKeyJIOFHCNOLSXVAF-UHFFFAOYSA-N
XLogP7.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.57
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine (CID 67708042) is 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine is COc1ccc(CC2(c3ccc(C(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
The InChIKey is JIOFHCNOLSXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3NO3/c1-37-25-12-6-22(7-13-25)21-31(23-8-10-24(11-9-23)32(33,34)35)15-14-28-26-4-2-3-5-27(26)29(20-30(28)39-31)36-16-18-38-19-17-36/h2-15,20H,16-19,21H2,1H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine?
4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine has a molecular weight of 531.57 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 67708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).