1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

C13H16O3S2 — CID 58568127

IUPAC1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)c1ccsc1-c1cccs1
InChIInChI=1S/C13H16O3S2/c1-13(14,12(15-2)16-3)9-6-8-18-11(9)10-5-4-7-17-10/h4-8,12,14H,1-3H3
InChIKeyCQCLARDZMZUYCY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.30
Rot. Bonds5

About 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (PubChem CID 58568127) has the molecular formula C13H16O3S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
PubChem CID58568127
Molecular FormulaC13H16O3S2
Molecular Weight284.40 g/mol
Exact Mass284.05
IUPAC Name1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCOC(OC)C(C)(O)c1ccsc1-c1cccs1
InChIInChI=1S/C13H16O3S2/c1-13(14,12(15-2)16-3)9-6-8-18-11(9)10-5-4-7-17-10/h4-8,12,14H,1-3H3
InChIKeyCQCLARDZMZUYCY-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (CID 58568127) is 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is COC(OC)C(C)(O)c1ccsc1-c1cccs1.
What is the InChIKey of 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The InChIKey is CQCLARDZMZUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S2/c1-13(14,12(15-2)16-3)9-6-8-18-11(9)10-5-4-7-17-10/h4-8,12,14H,1-3H3.
What are the key properties of 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 58568127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).