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

C16H18OS — CID 61099140

IUPAC2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H18OS/c1-2-14-8-9-15(18-14)16(17)13-7-6-11-4-3-5-12(11)10-13/h6-10,16-17H,2-5H2,1H3
InChIKeyGBQYBGSKWQACFQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.88
Rot. Bonds3

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

2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol (PubChem CID 61099140) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
PubChem CID61099140
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2ccc3c(c2)CCC3)s1
InChIInChI=1S/C16H18OS/c1-2-14-8-9-15(18-14)16(17)13-7-6-11-4-3-5-12(11)10-13/h6-10,16-17H,2-5H2,1H3
InChIKeyGBQYBGSKWQACFQ-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
CID 63019737
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
3-ethyl-6-[(5-ethylthiophen-2-yl)-hydroxymethyl]-1,3-benzoxazol-2-one
CID 62300930

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol (CID 61099140) is 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol is CCc1ccc(C(O)c2ccc3c(c2)CCC3)s1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol?
The InChIKey is GBQYBGSKWQACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-14-8-9-15(18-14)16(17)13-7-6-11-4-3-5-12(11)10-13/h6-10,16-17H,2-5H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol?
2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methanol has a molecular weight of 258.39 g/mol, XLogP of 3.88, 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-(5-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 61099140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).