6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol

C15H16O2S — CID 79374000

IUPAC6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1ccsc1)CC2
InChIInChI=1S/C15H16O2S/c1-17-13-3-2-12-4-6-15(16,14(12)8-13)9-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyZQFPFXBEHMEDBB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.13
Rot. Bonds3

About 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol

6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol (PubChem CID 79374000) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
PubChem CID79374000
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1ccsc1)CC2
InChIInChI=1S/C15H16O2S/c1-17-13-3-2-12-4-6-15(16,14(12)8-13)9-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyZQFPFXBEHMEDBB-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol (CID 79374000) is 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(Cc1ccsc1)CC2.
What is the InChIKey of 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
The InChIKey is ZQFPFXBEHMEDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-17-13-3-2-12-4-6-15(16,14(12)8-13)9-11-5-7-18-10-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3.
What are the key properties of 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol?
6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol has a molecular weight of 260.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79374000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).