1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone

C14H15NO4 — CID 55231177

IUPAC1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cc[nH]c2)cc1OC
InChIInChI=1S/C14H15NO4/c1-17-11-7-13(19-3)12(18-2)6-10(11)14(16)9-4-5-15-8-9/h4-8,15H,1-3H3
InChIKeyZNMBWRHWLCQAJL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.27
Rot. Bonds5

About 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone

1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 55231177) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
PubChem CID55231177
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)c2cc[nH]c2)cc1OC
InChIInChI=1S/C14H15NO4/c1-17-11-7-13(19-3)12(18-2)6-10(11)14(16)9-4-5-15-8-9/h4-8,15H,1-3H3
InChIKeyZNMBWRHWLCQAJL-UHFFFAOYSA-N
XLogP2.27
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948
[2-chloro-4-(5-fluoro-2-methoxyphenoxy)phenyl]-(1H-pyrrol-3-yl)methanone
CID 175785307
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
methyl 4-(1H-pyrrole-3-carbonyl)pyridine-3-carboxylate
CID 15488513
(2-benzoyl-4,5-dimethoxyphenyl) propanoate
CID 69459736
(2-chloro-4-fluorophenyl)-(1H-pyrrol-3-yl)methanone
CID 63749439
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 90646188

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone (CID 55231177) is 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)c2cc[nH]c2)cc1OC.
What is the InChIKey of 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZNMBWRHWLCQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-17-11-7-13(19-3)12(18-2)6-10(11)14(16)9-4-5-15-8-9/h4-8,15H,1-3H3.
What are the key properties of 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone?
1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 261.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-yl-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 55231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).