3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione

C12H10ClNO4 — CID 54189062

IUPAC3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=CC(=O)NC2=O)c(OC)cc1Cl
InChIInChI=1S/C12H10ClNO4/c1-17-9-5-8(13)10(18-2)3-6(9)7-4-11(15)14-12(7)16/h3-5H,1-2H3,(H,14,15,16)
InChIKeyPHFFJRYPINYUEA-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.40
Rot. Bonds3

About 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione

3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 54189062) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione
PubChem CID54189062
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cc(C2=CC(=O)NC2=O)c(OC)cc1Cl
InChIInChI=1S/C12H10ClNO4/c1-17-9-5-8(13)10(18-2)3-6(9)7-4-11(15)14-12(7)16/h3-5H,1-2H3,(H,14,15,16)
InChIKeyPHFFJRYPINYUEA-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-2-methoxyphenyl)pyrrole-2,5-dione
CID 54300547
3,6-bis(4-chloro-2,5-dimethoxyphenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134097390
3-(2,3-dichlorophenyl)pyrrole-2,5-dione
CID 22352874
6-chloro-7-methoxy-1H-cinnolin-4-one
CID 157040708
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
3-[[2-(4-chloro-3-methoxyphenyl)-2-fluoroethyl]amino]pyrrole-2,5-dione
CID 167962437
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301
2-(4-chloro-2,5-dimethoxyphenyl)-5-[2-(4-chloro-2,5-dimethoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 3110707
(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
4-chloro-7-methoxyisoindole-1,3-dione
CID 86201786

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione (CID 54189062) is 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione is COc1cc(C2=CC(=O)NC2=O)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is PHFFJRYPINYUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-17-9-5-8(13)10(18-2)3-6(9)7-4-11(15)14-12(7)16/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione?
3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 267.67 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 54189062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).