5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol

C16H16OS — CID 142423987

IUPAC5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccc(SCc3ccccc3)cc2C1
InChIInChI=1S/C16H16OS/c17-15-8-13-6-7-16(10-14(13)9-15)18-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2
InChIKeyPKCHNRVTDQDHKV-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.44
Rot. Bonds3

About 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol

5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol (PubChem CID 142423987) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol
PubChem CID142423987
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2ccc(SCc3ccccc3)cc2C1
InChIInChI=1S/C16H16OS/c17-15-8-13-6-7-16(10-14(13)9-15)18-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2
InChIKeyPKCHNRVTDQDHKV-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol (CID 142423987) is 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol is OC1Cc2ccc(SCc3ccccc3)cc2C1.
What is the InChIKey of 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is PKCHNRVTDQDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c17-15-8-13-6-7-16(10-14(13)9-15)18-11-12-4-2-1-3-5-12/h1-7,10,15,17H,8-9,11H2.
What are the key properties of 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol?
5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 256.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 142423987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).