(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C24H20O4S — CID 50907273

IUPAC(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc3ccccc3c2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20O4S/c1-26-18-13-16(14-19(27-2)23(18)28-3)22(25)24-21(15-9-5-4-6-10-15)17-11-7-8-12-20(17)29-24/h4-14H,1-3H3
InChIKeyXPFSGNFTYZJXQI-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.83
Rot. Bonds6

About (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 50907273) has the molecular formula C24H20O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID50907273
Molecular FormulaC24H20O4S
Molecular Weight404.49 g/mol
Exact Mass404.11
IUPAC Name(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc3ccccc3c2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20O4S/c1-26-18-13-16(14-19(27-2)23(18)28-3)22(25)24-21(15-9-5-4-6-10-15)17-11-7-8-12-20(17)29-24/h4-14H,1-3H3
InChIKeyXPFSGNFTYZJXQI-UHFFFAOYSA-N
XLogP5.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
2,2,2-trifluoro-1-(3-phenyl-1-benzothiophen-2-yl)ethanone
CID 132576562
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
3-(2-fluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 168780845
5-[2-(3,4,5-trimethoxyphenyl)-1-benzothiophen-3-yl]pyrimidine
CID 154723415
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
[2-(3,4,5-trimethoxyphenyl)-1-benzothiophen-3-yl]methanamine
CID 134865631

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 50907273) is (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2sc3ccccc3c2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XPFSGNFTYZJXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O4S/c1-26-18-13-16(14-19(27-2)23(18)28-3)22(25)24-21(15-9-5-4-6-10-15)17-11-7-8-12-20(17)29-24/h4-14H,1-3H3.
What are the key properties of (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 404.49 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 50907273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).