1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol

C14H20O2S2 — CID 101208290

IUPAC1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol
SMILESCCSC1CC(SCC)c2cc(OC)c(O)cc21
InChIInChI=1S/C14H20O2S2/c1-4-17-13-8-14(18-5-2)10-7-12(16-3)11(15)6-9(10)13/h6-7,13-15H,4-5,8H2,1-3H3
InChIKeyRBYUZFOVDDFVNK-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.39
Rot. Bonds5

About 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol

1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol (PubChem CID 101208290) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol
PubChem CID101208290
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol
SMILESCCSC1CC(SCC)c2cc(OC)c(O)cc21
InChIInChI=1S/C14H20O2S2/c1-4-17-13-8-14(18-5-2)10-7-12(16-3)11(15)6-9(10)13/h6-7,13-15H,4-5,8H2,1-3H3
InChIKeyRBYUZFOVDDFVNK-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol (CID 101208290) is 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol is CCSC1CC(SCC)c2cc(OC)c(O)cc21.
What is the InChIKey of 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol?
The InChIKey is RBYUZFOVDDFVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S2/c1-4-17-13-8-14(18-5-2)10-7-12(16-3)11(15)6-9(10)13/h6-7,13-15H,4-5,8H2,1-3H3.
What are the key properties of 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol?
1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol has a molecular weight of 284.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethylsulfanyl)-6-methoxy-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 101208290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).