methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate

C32H29NO3 — CID 23159895

IUPACmethyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(Cn3c(-c4ccccc4)cc4ccccc43)cc2)cc1
InChIInChI=1S/C32H29NO3/c1-35-32(34)20-17-24-15-18-29(19-16-24)36-23-26-13-11-25(12-14-26)22-33-30-10-6-5-9-28(30)21-31(33)27-7-3-2-4-8-27/h2-16,18-19,21H,17,20,22-23H2,1H3
InChIKeyZNWWGERZIIJPSR-UHFFFAOYSA-N
MW475.59 g/mol
LogP7.04
Rot. Bonds9

About methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate

methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate (PubChem CID 23159895) has the molecular formula C32H29NO3 and a molecular weight of 475.59 g/mol. Its IUPAC name is methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
PubChem CID23159895
Molecular FormulaC32H29NO3
Molecular Weight475.59 g/mol
Exact Mass475.21
IUPAC Namemethyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(Cn3c(-c4ccccc4)cc4ccccc43)cc2)cc1
InChIInChI=1S/C32H29NO3/c1-35-32(34)20-17-24-15-18-29(19-16-24)36-23-26-13-11-25(12-14-26)22-33-30-10-6-5-9-28(30)21-31(33)27-7-3-2-4-8-27/h2-16,18-19,21H,17,20,22-23H2,1H3
InChIKeyZNWWGERZIIJPSR-UHFFFAOYSA-N
XLogP7.04
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate with MolForge

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Related Compounds

methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
methyl hypoiodite;methyl 3-(4-phenylmethoxyphenyl)propanoate
CID 142194241
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
methyl 3-[4-[(2-nitrophenyl)sulfanyl-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methyl]amino]phenyl]propanoate
CID 89043685
3-[4-[[4-[[2-(cyanomethyl)indol-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159945
1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 22111297
ethane;methyl 3-[4-[(2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 123182715
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
3-[4-[[4-[(5-methoxy-2-methylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159997

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate (CID 23159895) is methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate is COC(=O)CCc1ccc(OCc2ccc(Cn3c(-c4ccccc4)cc4ccccc43)cc2)cc1.
What is the InChIKey of methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate?
The InChIKey is ZNWWGERZIIJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO3/c1-35-32(34)20-17-24-15-18-29(19-16-24)36-23-26-13-11-25(12-14-26)22-33-30-10-6-5-9-28(30)21-31(33)27-7-3-2-4-8-27/h2-16,18-19,21H,17,20,22-23H2,1H3.
What are the key properties of methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate?
methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate has a molecular weight of 475.59 g/mol, XLogP of 7.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 23159895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).