(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol

C13H12Br2OS — CID 107969813

IUPAC(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H12Br2OS/c1-2-8-4-3-5-9(6-8)12(16)10-7-11(14)17-13(10)15/h3-7,12,16H,2H2,1H3
InChIKeyATCSBLMJUWWNEI-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.92
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol

(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol (PubChem CID 107969813) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
PubChem CID107969813
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H12Br2OS/c1-2-8-4-3-5-9(6-8)12(16)10-7-11(14)17-13(10)15/h3-7,12,16H,2H2,1H3
InChIKeyATCSBLMJUWWNEI-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572
(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
CID 102829560
(3-ethylphenyl)-(2-iodophenyl)methanol
CID 115823914
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(2,5-dibromothiophen-3-yl)-(4-phenylphenyl)methanol
CID 107964114
(3-ethylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105117216
(5-chlorofuran-2-yl)-(3-ethylphenyl)methanol
CID 106693920
(2-amino-5-fluorophenyl)-(3-ethylphenyl)methanol
CID 82684554
(2,5-dibromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 107969580
2,5-dibromo-3-[chloro-(3-propoxyphenyl)methyl]thiophene
CID 63436307

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol (CID 107969813) is (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol is CCc1cccc(C(O)c2cc(Br)sc2Br)c1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol?
The InChIKey is ATCSBLMJUWWNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-2-8-4-3-5-9(6-8)12(16)10-7-11(14)17-13(10)15/h3-7,12,16H,2H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol has a molecular weight of 376.11 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol is sourced from PubChem (CID 107969813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).