4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione

C18H10O6S2 — CID 101252314

IUPAC4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione
SMILESO=C1CC(=O)C(c2ccc(-c3ccc(C4=C(O)C(=O)CC4=O)s3)s2)=C1O
InChIInChI=1S/C18H10O6S2/c19-7-5-9(21)17(23)15(7)13-3-1-11(25-13)12-2-4-14(26-12)16-8(20)6-10(22)18(16)24/h1-4,23-24H,5-6H2
InChIKeyRATDADYOXZXZNR-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.10
Rot. Bonds3

About 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione

4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione (PubChem CID 101252314) has the molecular formula C18H10O6S2 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione
PubChem CID101252314
Molecular FormulaC18H10O6S2
Molecular Weight386.41 g/mol
Exact Mass385.99
IUPAC Name4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione
SMILESO=C1CC(=O)C(c2ccc(-c3ccc(C4=C(O)C(=O)CC4=O)s3)s2)=C1O
InChIInChI=1S/C18H10O6S2/c19-7-5-9(21)17(23)15(7)13-3-1-11(25-13)12-2-4-14(26-12)16-8(20)6-10(22)18(16)24/h1-4,23-24H,5-6H2
InChIKeyRATDADYOXZXZNR-UHFFFAOYSA-N
XLogP3.10
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

3-butyl-2-[5-(2-butyl-5-oxocyclopenten-1-yl)thiophen-2-yl]cyclopent-2-en-1-one
CID 10937197
4-ethyl-5-hydroxycyclopent-4-ene-1,3-dione
CID 12729186
3,4-dihydroxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
CID 58248988
2-hydroxy-3-methylcyclobut-2-en-1-one
CID 58489247
5,13-dihydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
CID 167616172
2-[5-(4-oxo-3H-quinolin-2-yl)thiophen-2-yl]-3H-quinolin-4-one
CID 143872008
anthracene-1,2,4,9,10-pentone
CID 68577943
3,4-dihydroxy-2H-naphthalen-1-one
CID 167681801
1,4-bis[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-2,5-dihydrocyclopenta[c]pyrrole-3,6-dione;5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonitrile
CID 161293768
5-[5-(5-cyanothiophen-2-yl)thiophen-2-yl]thiophene-2-carbonitrile
CID 11500375
3-hydroxy-2-(1H-pyrrol-3-yl)cyclobut-2-en-1-one
CID 145128801
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione?
The IUPAC name of 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione (CID 101252314) is 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione?
The canonical SMILES for 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione is O=C1CC(=O)C(c2ccc(-c3ccc(C4=C(O)C(=O)CC4=O)s3)s2)=C1O.
What is the InChIKey of 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione?
The InChIKey is RATDADYOXZXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6S2/c19-7-5-9(21)17(23)15(7)13-3-1-11(25-13)12-2-4-14(26-12)16-8(20)6-10(22)18(16)24/h1-4,23-24H,5-6H2.
What are the key properties of 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione?
4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione has a molecular weight of 386.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[5-[5-(2-hydroxy-3,5-dioxocyclopenten-1-yl)thiophen-2-yl]thiophen-2-yl]cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 101252314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).