(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C16H17BrOS — CID 107127395

IUPAC(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCc1sc(Br)cc1C(O)C1CCc2ccccc2C1
InChIInChI=1S/C16H17BrOS/c1-10-14(9-15(17)19-10)16(18)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13,16,18H,6-8H2,1H3
InChIKeySXUNVKSLAPOEIF-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.66
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 107127395) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID107127395
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESCc1sc(Br)cc1C(O)C1CCc2ccccc2C1
InChIInChI=1S/C16H17BrOS/c1-10-14(9-15(17)19-10)16(18)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13,16,18H,6-8H2,1H3
InChIKeySXUNVKSLAPOEIF-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
(2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 102832882
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410998
1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127375
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65411188
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
CID 107127371
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
2,3-dihydro-1H-inden-2-yl-(2,4-dimethylphenyl)methanol
CID 65410977
2-[bromo-(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127472
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 107127395) is (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is Cc1sc(Br)cc1C(O)C1CCc2ccccc2C1.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is SXUNVKSLAPOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-10-14(9-15(17)19-10)16(18)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13,16,18H,6-8H2,1H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 337.28 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 107127395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).