2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol

C16H16OS — CID 154716481

IUPAC2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol
SMILESOC1(CSc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C16H16OS/c17-16(12-18-15-8-2-1-3-9-15)10-13-6-4-5-7-14(13)11-16/h1-9,17H,10-12H2
InChIKeyJYJVSMINGNUNKE-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.31
Rot. Bonds3

About 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol

2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol (PubChem CID 154716481) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol
PubChem CID154716481
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol
SMILESOC1(CSc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C16H16OS/c17-16(12-18-15-8-2-1-3-9-15)10-13-6-4-5-7-14(13)11-16/h1-9,17H,10-12H2
InChIKeyJYJVSMINGNUNKE-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol (CID 154716481) is 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol is OC1(CSc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol?
The InChIKey is JYJVSMINGNUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-16(12-18-15-8-2-1-3-9-15)10-13-6-4-5-7-14(13)11-16/h1-9,17H,10-12H2.
What are the key properties of 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol?
2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol has a molecular weight of 256.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 154716481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).