[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate

C18H21NO3 — CID 175092476

IUPAC[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate
SMILESCOc1ccc(-c2ccn(OC(=O)C3CCCCC3)c2)cc1
InChIInChI=1S/C18H21NO3/c1-21-17-9-7-14(8-10-17)16-11-12-19(13-16)22-18(20)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3
InChIKeyKWWQCYVYUJJEAP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.70
Rot. Bonds4

About [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate

[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate (PubChem CID 175092476) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate
PubChem CID175092476
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate
SMILESCOc1ccc(-c2ccn(OC(=O)C3CCCCC3)c2)cc1
InChIInChI=1S/C18H21NO3/c1-21-17-9-7-14(8-10-17)16-11-12-19(13-16)22-18(20)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3
InChIKeyKWWQCYVYUJJEAP-UHFFFAOYSA-N
XLogP3.70
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
CID 58762545
N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693972
6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957972
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The IUPAC name of [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate (CID 175092476) is [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate.
What is the SMILES notation for [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The canonical SMILES for [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate is COc1ccc(-c2ccn(OC(=O)C3CCCCC3)c2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate?
The InChIKey is KWWQCYVYUJJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-17-9-7-14(8-10-17)16-11-12-19(13-16)22-18(20)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate?
[3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)pyrrol-1-yl] cyclohexanecarboxylate is sourced from PubChem (CID 175092476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).