(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol

C15H17BrO2S — CID 115823703

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2OC(C)C)sc1Br
InChIInChI=1S/C15H17BrO2S/c1-9(2)18-12-7-5-4-6-11(12)14(17)13-8-10(3)15(16)19-13/h4-9,14,17H,1-3H3
InChIKeyLRZGCWASOFNPPE-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.69
Rot. Bonds4

About (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol

(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol (PubChem CID 115823703) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
PubChem CID115823703
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2OC(C)C)sc1Br
InChIInChI=1S/C15H17BrO2S/c1-9(2)18-12-7-5-4-6-11(12)14(17)13-8-10(3)15(16)19-13/h4-9,14,17H,1-3H3
InChIKeyLRZGCWASOFNPPE-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-methoxynaphthalen-1-yl)methanol
CID 79998988
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 79996828
(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823780
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol (CID 115823703) is (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol is Cc1cc(C(O)c2ccccc2OC(C)C)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol?
The InChIKey is LRZGCWASOFNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-9(2)18-12-7-5-4-6-11(12)14(17)13-8-10(3)15(16)19-13/h4-9,14,17H,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol has a molecular weight of 341.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 115823703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).