2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol

C17H18OS — CID 79217216

IUPAC2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18OS/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17-18H,2-4H2,1H3
InChIKeyDTDVURSHZNIXGA-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.98
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol

2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol (PubChem CID 79217216) 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-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
PubChem CID79217216
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
SMILESCSc1ccc(C(O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18OS/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17-18H,2-4H2,1H3
InChIKeyDTDVURSHZNIXGA-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

2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol (CID 79217216) is 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol is CSc1ccc(C(O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol?
The InChIKey is DTDVURSHZNIXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-19-16-9-7-13(8-10-16)17(18)15-6-5-12-3-2-4-14(12)11-15/h5-11,17-18H,2-4H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol?
2,3-dihydro-1H-inden-5-yl-(4-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-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 79217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).