1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol

C17H20OS — CID 11357773

IUPAC1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol
SMILESCC(C)c1ccc2c(c1)-c1sc(C(C)O)cc1CC2
InChIInChI=1S/C17H20OS/c1-10(2)13-6-4-12-5-7-14-9-16(11(3)18)19-17(14)15(12)8-13/h4,6,8-11,18H,5,7H2,1-3H3
InChIKeyPJGQDURMOHOLTN-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.69
Rot. Bonds2

About 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol

1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol (PubChem CID 11357773) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol.

Molecular Properties

Compound Name1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol
PubChem CID11357773
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol
SMILESCC(C)c1ccc2c(c1)-c1sc(C(C)O)cc1CC2
InChIInChI=1S/C17H20OS/c1-10(2)13-6-4-12-5-7-14-9-16(11(3)18)19-17(14)15(12)8-13/h4,6,8-11,18H,5,7H2,1-3H3
InChIKeyPJGQDURMOHOLTN-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(1-hydroxyethyl)-4,5-dihydrobenzo[g][1]benzothiol-7-yl]oxy]acetonitrile
CID 11543776
2-methylidene-7-propan-2-yl-3,4-dihydronaphthalen-1-one
CID 82277850
1-[7-(pyridin-4-ylmethoxy)-4,5-dihydrobenzo[g][1]benzothiol-2-yl]ethanol
CID 143267971
(NE)-N-(7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 24808609
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
2-methyl-7-propan-2-yl-4H-indeno[2,1-b]thiophene
CID 70851633
6-propan-2-yl-1H-isothiochromen-4-one
CID 82888792
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84631320
6-(difluoromethyl)-2,3-dihydroinden-1-one
CID 55275022
3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethanediol
CID 174827553

Frequently Asked Questions

What is the IUPAC name of 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol?
The IUPAC name of 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol (CID 11357773) is 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol.
What is the SMILES notation for 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol?
The canonical SMILES for 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol is CC(C)c1ccc2c(c1)-c1sc(C(C)O)cc1CC2.
What is the InChIKey of 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol?
The InChIKey is PJGQDURMOHOLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-10(2)13-6-4-12-5-7-14-9-16(11(3)18)19-17(14)15(12)8-13/h4,6,8-11,18H,5,7H2,1-3H3.
What are the key properties of 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol?
1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol has a molecular weight of 272.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-propan-2-yl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanol is sourced from PubChem (CID 11357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).