methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate

C26H23NO3 — CID 23024961

IUPACmethyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)25-18-27(17-24(25)22-10-6-3-7-11-22)16-20-12-14-23(15-13-20)30-19-21-8-4-2-5-9-21/h2-15,17-18H,16,19H2,1H3
InChIKeyAGVFAOJLUNTLKV-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.57
Rot. Bonds7

About methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate

methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate (PubChem CID 23024961) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
PubChem CID23024961
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Namemethyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
SMILESCOC(=O)c1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-26(28)25-18-27(17-24(25)22-10-6-3-7-11-22)16-20-12-14-23(15-13-20)30-19-21-8-4-2-5-9-21/h2-15,17-18H,16,19H2,1H3
InChIKeyAGVFAOJLUNTLKV-UHFFFAOYSA-N
XLogP5.57
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 23025097
3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
CID 70123556
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
dimethyl 4-(phenoxymethyl)-5-phenylbenzene-1,2-dicarboxylate
CID 101373230
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
CID 68962145

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate?
The IUPAC name of methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate (CID 23024961) is methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate is COC(=O)c1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate?
The InChIKey is AGVFAOJLUNTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-26(28)25-18-27(17-24(25)22-10-6-3-7-11-22)16-20-12-14-23(15-13-20)30-19-21-8-4-2-5-9-21/h2-15,17-18H,16,19H2,1H3.
What are the key properties of methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate?
methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate is sourced from PubChem (CID 23024961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).