4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine

C32H30FNO3 — CID 163531869

IUPAC4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2(c3ccc(C)c(F)c3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C
InChIInChI=1S/C32H30FNO3/c1-21-8-9-24(19-28(21)33)32(23-10-11-30(35-3)22(2)18-23)13-12-27-25-6-4-5-7-26(25)29(20-31(27)37-32)34-14-16-36-17-15-34/h4-13,18-20H,14-17H2,1-3H3
InChIKeyDTRCVQICZLAXQS-UHFFFAOYSA-N
MW495.59 g/mol
LogP6.79
Rot. Bonds4

About 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine

4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine (PubChem CID 163531869) has the molecular formula C32H30FNO3 and a molecular weight of 495.59 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
PubChem CID163531869
Molecular FormulaC32H30FNO3
Molecular Weight495.59 g/mol
Exact Mass495.22
IUPAC Name4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
SMILESCOc1ccc(C2(c3ccc(C)c(F)c3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C
InChIInChI=1S/C32H30FNO3/c1-21-8-9-24(19-28(21)33)32(23-10-11-30(35-3)22(2)18-23)13-12-27-25-6-4-5-7-26(25)29(20-31(27)37-32)34-14-16-36-17-15-34/h4-13,18-20H,14-17H2,1-3H3
InChIKeyDTRCVQICZLAXQS-UHFFFAOYSA-N
XLogP6.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 56.79
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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Related Compounds

4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 59805283
4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
CID 18714042
4-[4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine;4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 159518975
4-[3-(3-fluoro-4-methoxyphenyl)-3H-benzo[f]chromen-6-yl]morpholine
CID 70169765
4-[2-[4-(dimethylamino)phenyl]-7,9-dimethoxy-5-methylbenzo[h]chromen-2-yl]-N,N-dimethylaniline;4-[4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine;bis(4-[4-(10-methoxy-5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl)phenyl]morpholine)
CID 162262083
4-[3-methyl-3-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 139813735
4-[(E)-2-[6-(3-fluoro-4-methoxyphenyl)-6-(3-fluoro-4-methylphenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyran-2-yl]ethenyl]morpholine
CID 143515945
4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
CID 170543909

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine (CID 163531869) is 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine is COc1ccc(C2(c3ccc(C)c(F)c3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C.
What is the InChIKey of 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine?
The InChIKey is DTRCVQICZLAXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FNO3/c1-21-8-9-24(19-28(21)33)32(23-10-11-30(35-3)22(2)18-23)13-12-27-25-6-4-5-7-26(25)29(20-31(27)37-32)34-14-16-36-17-15-34/h4-13,18-20H,14-17H2,1-3H3.
What are the key properties of 4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine?
4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine has a molecular weight of 495.59 g/mol, XLogP of 6.79, 4 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-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 163531869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).