4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium

C27H28NO2+ — CID 3873909

IUPAC4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium
SMILESCc1ccccc1C1C(C[NH+]2CCOCC2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C27H27NO2/c1-20-9-5-6-12-22(20)26-23-13-7-8-14-25(23)30-27(21-10-3-2-4-11-21)24(26)19-28-15-17-29-18-16-28/h2-14,26H,15-19H2,1H3/p+1
InChIKeyVMBFBNLJKLPKBG-UHFFFAOYSA-O
MW398.53 g/mol
LogP3.85
Rot. Bonds4

About 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium

4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium (PubChem CID 3873909) has the molecular formula C27H28NO2+ and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium
PubChem CID3873909
Molecular FormulaC27H28NO2+
Molecular Weight398.53 g/mol
Exact Mass398.21
IUPAC Name4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium
SMILESCc1ccccc1C1C(C[NH+]2CCOCC2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C27H27NO2/c1-20-9-5-6-12-22(20)26-23-13-7-8-14-25(23)30-27(21-10-3-2-4-11-21)24(26)19-28-15-17-29-18-16-28/h2-14,26H,15-19H2,1H3/p+1
InChIKeyVMBFBNLJKLPKBG-UHFFFAOYSA-O
XLogP3.85
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-(4-Fluorophenoxy)phenyl)piperidine
CID 22599992
4-(2-Phenoxyphenyl)piperidine
CID 23113096
4-(2-(Benzyloxy)-6-fluorophenyl)piperidine
CID 45483406
4-(2-(Phenoxymethyl)phenyl)piperidine
CID 45483527
4-(2-(Benzyloxy)phenyl)piperidine
CID 45483529
4-Benzyl-1-chroman-2-ylmethyl-piperidine
CID 11220953
4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263313
4-{2-Methyl-3-[(3-methylphenyl)methoxy]phenyl}piperidine
CID 25263316
4-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263317
4-{3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263320
4-{3-[(1R)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263321
4-[3-(3-Fluorophenoxymethyl)-2-methylphenyl]piperidine
CID 25263343

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium?
The IUPAC name of 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium (CID 3873909) is 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium.
What is the SMILES notation for 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium?
The canonical SMILES for 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium is Cc1ccccc1C1C(C[NH+]2CCOCC2)=C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium?
The InChIKey is VMBFBNLJKLPKBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H27NO2/c1-20-9-5-6-12-22(20)26-23-13-7-8-14-25(23)30-27(21-10-3-2-4-11-21)24(26)19-28-15-17-29-18-16-28/h2-14,26H,15-19H2,1H3/p+1.
What are the key properties of 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium?
4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium has a molecular weight of 398.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methyl]morpholin-4-ium is sourced from PubChem (CID 3873909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).