1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol

C15H17BrOS — CID 115786511

IUPAC1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(C)c(Br)c2)s1
InChIInChI=1S/C15H17BrOS/c1-3-12-6-7-13(18-12)9-15(17)11-5-4-10(2)14(16)8-11/h4-8,15,17H,3,9H2,1-2H3
InChIKeyFDYLVSMYDNNCIP-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.66
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol

1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 115786511) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID115786511
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(C)c(Br)c2)s1
InChIInChI=1S/C15H17BrOS/c1-3-12-6-7-13(18-12)9-15(17)11-5-4-10(2)14(16)8-11/h4-8,15,17H,3,9H2,1-2H3
InChIKeyFDYLVSMYDNNCIP-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
1-(3-bromo-4-methylphenyl)-2-methoxyethanol
CID 115819132
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol (CID 115786511) is 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2ccc(C)c(Br)c2)s1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is FDYLVSMYDNNCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-3-12-6-7-13(18-12)9-15(17)11-5-4-10(2)14(16)8-11/h4-8,15,17H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 325.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 115786511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).