2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol

C17H18OS — CID 79217290

IUPAC2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18OS/c1-19-16-8-3-2-7-15(16)17(18)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,17-18H,4-6H2,1H3
InChIKeyDOLPSDNPFRXWEY-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.98
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol

2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol (PubChem CID 79217290) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
PubChem CID79217290
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
SMILESCSc1ccccc1C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18OS/c1-19-16-8-3-2-7-15(16)17(18)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,17-18H,4-6H2,1H3
InChIKeyDOLPSDNPFRXWEY-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214753
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
CID 94487723
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol (CID 79217290) is 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol is CSc1ccccc1C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol?
The InChIKey is DOLPSDNPFRXWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-19-16-8-3-2-7-15(16)17(18)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,17-18H,4-6H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol?
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol has a molecular weight of 270.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol is sourced from PubChem (CID 79217290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).