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

C14H15BrOS — CID 102829560

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2cc(Br)c(C)s2)c1
InChIInChI=1S/C14H15BrOS/c1-3-10-5-4-6-11(7-10)14(16)13-8-12(15)9(2)17-13/h4-8,14,16H,3H2,1-2H3
InChIKeyXNEUCCZCCOWWKT-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.46
Rot. Bonds3

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

(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol (PubChem CID 102829560) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
PubChem CID102829560
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol
SMILESCCc1cccc(C(O)c2cc(Br)c(C)s2)c1
InChIInChI=1S/C14H15BrOS/c1-3-10-5-4-6-11(7-10)14(16)13-8-12(15)9(2)17-13/h4-8,14,16H,3H2,1-2H3
InChIKeyXNEUCCZCCOWWKT-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
N-[(4,5-dibromothiophen-2-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105018887
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(5-chlorofuran-2-yl)-(3-ethylphenyl)methanol
CID 106693920
(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769434

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol (CID 102829560) is (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol is CCc1cccc(C(O)c2cc(Br)c(C)s2)c1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol?
The InChIKey is XNEUCCZCCOWWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-3-10-5-4-6-11(7-10)14(16)13-8-12(15)9(2)17-13/h4-8,14,16H,3H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol has a molecular weight of 311.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(3-ethylphenyl)methanol is sourced from PubChem (CID 102829560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).