[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H16Cl2O4S — CID 171618877

IUPAC[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H16Cl2O4S/c1-24-16-6-12(7-17(25-2)20(16)26-3)19(23)18-8-13(10-27-18)11-4-14(21)9-15(22)5-11/h4-10H,1-3H3
InChIKeyZMNJNGYXEZTUJF-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.98
Rot. Bonds6

About [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 171618877) has the molecular formula C20H16Cl2O4S and a molecular weight of 423.32 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID171618877
Molecular FormulaC20H16Cl2O4S
Molecular Weight423.32 g/mol
Exact Mass422.01
IUPAC Name[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H16Cl2O4S/c1-24-16-6-12(7-17(25-2)20(16)26-3)19(23)18-8-13(10-27-18)11-4-14(21)9-15(22)5-11/h4-10H,1-3H3
InChIKeyZMNJNGYXEZTUJF-UHFFFAOYSA-N
XLogP5.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618872
(2-chloropyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 151869443
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708621
2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
(5-amino-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 72737432
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 171618877) is [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3cc(Cl)cc(Cl)c3)cs2)cc(OC)c1OC.
What is the InChIKey of [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZMNJNGYXEZTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O4S/c1-24-16-6-12(7-17(25-2)20(16)26-3)19(23)18-8-13(10-27-18)11-4-14(21)9-15(22)5-11/h4-10H,1-3H3.
What are the key properties of [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 423.32 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 171618877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).