(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol

C14H15BrO3S — CID 104658901

IUPAC(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1sccc1Br
InChIInChI=1S/C14H15BrO3S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13,16H,7-8H2,1H3
InChIKeyGKZPSIIHVDYLLH-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.62
Rot. Bonds6

About (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol

(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol (PubChem CID 104658901) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
PubChem CID104658901
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1sccc1Br
InChIInChI=1S/C14H15BrO3S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13,16H,7-8H2,1H3
InChIKeyGKZPSIIHVDYLLH-UHFFFAOYSA-N
XLogP3.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethoxy)phenyl]-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105125520
(3-methoxythiophen-2-yl)-(2-propoxyphenyl)methanol
CID 115833017
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
[2-(2-methoxyethoxy)phenyl]-(2-methylfuran-3-yl)methanol
CID 104789530
[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105334131
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol (CID 104658901) is (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccccc1C(O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is GKZPSIIHVDYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c1-17-7-8-18-12-5-3-2-4-10(12)13(16)14-11(15)6-9-19-14/h2-6,9,13,16H,7-8H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol?
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 343.24 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 104658901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).