[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone

C25H16O4S — CID 139404109

IUPAC[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2occc2O)cc1
InChIInChI=1S/C25H16O4S/c26-18-10-11-19-21(14-18)30-25(23(28)16-4-2-1-3-5-16)22(19)15-6-8-17(9-7-15)24-20(27)12-13-29-24/h1-14,26-27H
InChIKeyMWTKGCHRZUGVFA-UHFFFAOYSA-N
MW412.47 g/mol
LogP6.47
Rot. Bonds4

About [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone

[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone (PubChem CID 139404109) has the molecular formula C25H16O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
PubChem CID139404109
Molecular FormulaC25H16O4S
Molecular Weight412.47 g/mol
Exact Mass412.08
IUPAC Name[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2occc2O)cc1
InChIInChI=1S/C25H16O4S/c26-18-10-11-19-21(14-18)30-25(23(28)16-4-2-1-3-5-16)22(19)15-6-8-17(9-7-15)24-20(27)12-13-29-24/h1-14,26-27H
InChIKeyMWTKGCHRZUGVFA-UHFFFAOYSA-N
XLogP6.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-hydroxy-3-[4-(2-hydroxyfuran-3-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 139404089
3-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 139403964
5-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]thiophene-2-carboxylic acid
CID 139404172
[3-[4-(4-aminofuran-3-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 139403880
4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 139404194
4-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,2-oxazol-3-one
CID 139404181
2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,3-oxazole-5-carboxylic acid
CID 139403890
[3-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
CID 139404105
[6-hydroxy-3-[4-[2-(methylamino)ethoxy]phenyl]-1-benzothiophen-2-yl]-phenylmethanone
CID 140896393
[5-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,3-thiazol-4-yl] formate
CID 153423206
2-[4-[6-hydroxy-2-(4-methylbenzoyl)-1-benzothiophen-3-yl]phenyl]cyclopropane-1-carboxylic acid
CID 157316029
(E)-3-[4-[6-hydroxy-2-(2-hydroxy-6-methylbenzoyl)-1-benzothiophen-3-yl]phenyl]prop-2-enoic acid
CID 158968057

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The IUPAC name of [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone (CID 139404109) is [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The canonical SMILES for [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1sc2cc(O)ccc2c1-c1ccc(-c2occc2O)cc1.
What is the InChIKey of [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
The InChIKey is MWTKGCHRZUGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O4S/c26-18-10-11-19-21(14-18)30-25(23(28)16-4-2-1-3-5-16)22(19)15-6-8-17(9-7-15)24-20(27)12-13-29-24/h1-14,26-27H.
What are the key properties of [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone?
[6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone has a molecular weight of 412.47 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-3-[4-(3-hydroxyfuran-2-yl)phenyl]-1-benzothiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 139404109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).