[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H18ClNO4 — CID 118708621

IUPAC[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3ccc(Cl)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H18ClNO4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)13-8-9-22(12-13)16-6-4-15(21)5-7-16/h4-12H,1-3H3
InChIKeyCCAVMIQQQISYAK-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.39
Rot. Bonds6

About [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708621) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708621
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3ccc(Cl)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H18ClNO4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)13-8-9-22(12-13)16-6-4-15(21)5-7-16/h4-12H,1-3H3
InChIKeyCCAVMIQQQISYAK-UHFFFAOYSA-N
XLogP4.39
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708645
[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155565588
[1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90676661
[1-(3-phenylmethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708647
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
(E)-1-(4-chlorophenyl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10641494
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 118708621) is [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccn(-c3ccc(Cl)cc3)c2)cc(OC)c1OC.
What is the InChIKey of [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CCAVMIQQQISYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-24-17-10-14(11-18(25-2)20(17)26-3)19(23)13-8-9-22(12-13)16-6-4-15(21)5-7-16/h4-12H,1-3H3.
What are the key properties of [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 371.82 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).