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

C15H17BrO2S — CID 79991363

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H17BrO2S/c1-3-7-18-12-6-4-5-11(9-12)14(17)13-8-10(2)15(16)19-13/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyGARKSZSVQPFHKY-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.69
Rot. Bonds5

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

(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol (PubChem CID 79991363) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
PubChem CID79991363
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H17BrO2S/c1-3-7-18-12-6-4-5-11(9-12)14(17)13-8-10(2)15(16)19-13/h4-6,8-9,14,17H,3,7H2,1-2H3
InChIKeyGARKSZSVQPFHKY-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
2,5-dibromo-3-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 63436307
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
2-bromo-5-[bromo-(3-methoxyphenyl)methyl]-3-methylthiophene
CID 79991701

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol (CID 79991363) is (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
The InChIKey is GARKSZSVQPFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-3-7-18-12-6-4-5-11(9-12)14(17)13-8-10(2)15(16)19-13/h4-6,8-9,14,17H,3,7H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(3-propoxyphenyl)methanol has a molecular weight of 341.27 g/mol, XLogP of 4.69, 5 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)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 79991363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).