(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol

C16H17BrOS — CID 115839009

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(C3CCC3)c2)sc1Br
InChIInChI=1S/C16H17BrOS/c1-10-8-14(19-16(10)17)15(18)13-7-3-6-12(9-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3
InChIKeyLEESEZBKUPKVCN-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.17
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol

(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol (PubChem CID 115839009) has the molecular formula C16H17BrOS and a molecular weight of 337.28 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
PubChem CID115839009
Molecular FormulaC16H17BrOS
Molecular Weight337.28 g/mol
Exact Mass336.02
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESCc1cc(C(O)c2cccc(C3CCC3)c2)sc1Br
InChIInChI=1S/C16H17BrOS/c1-10-8-14(19-16(10)17)15(18)13-7-3-6-12(9-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3
InChIKeyLEESEZBKUPKVCN-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115839041
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 103408312
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
[(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342056
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol (CID 115839009) is (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol is Cc1cc(C(O)c2cccc(C3CCC3)c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The InChIKey is LEESEZBKUPKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrOS/c1-10-8-14(19-16(10)17)15(18)13-7-3-6-12(9-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol has a molecular weight of 337.28 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol is sourced from PubChem (CID 115839009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).