1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

C16H17ClOS — CID 79427536

IUPAC1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1cc(Cl)cs1
InChIInChI=1S/C16H17ClOS/c17-13-9-16(19-10-13)15(18)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7,9-10,12,15,18H,3,5-6,8H2
InChIKeyFKGFWPYCYIPIJD-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol

1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (PubChem CID 79427536) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
PubChem CID79427536
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
SMILESOC(CC1CCCc2ccccc21)c1cc(Cl)cs1
InChIInChI=1S/C16H17ClOS/c17-13-9-16(19-10-13)15(18)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7,9-10,12,15,18H,3,5-6,8H2
InChIKeyFKGFWPYCYIPIJD-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 104769293
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiophen-3-ylethanol
CID 63771282
1-(3,5-difluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63773172
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-pyridin-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63771109
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
[1-(4,5-dimethylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105289310
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405352

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol (CID 79427536) is 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is OC(CC1CCCc2ccccc21)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
The InChIKey is FKGFWPYCYIPIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c17-13-9-16(19-10-13)15(18)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-2,4,7,9-10,12,15,18H,3,5-6,8H2.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol has a molecular weight of 292.83 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 79427536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).