2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene

C14H15BrOS — CID 66608233

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H15BrOS/c1-3-11-5-6-12(17-11)8-10-4-7-14(16-2)13(15)9-10/h4-7,9H,3,8H2,1-2H3
InChIKeyXZSRPKPERHKKAF-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.67
Rot. Bonds4

About 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene

2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene (PubChem CID 66608233) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
PubChem CID66608233
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2ccc(OC)c(Br)c2)s1
InChIInChI=1S/C14H15BrOS/c1-3-11-5-6-12(17-11)8-10-4-7-14(16-2)13(15)9-10/h4-7,9H,3,8H2,1-2H3
InChIKeyXZSRPKPERHKKAF-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040
2-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
5-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydropyran-6-one
CID 132535820
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
CID 43516795
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
(3-bromo-4-methoxyphenyl)methyl-pentan-3-ylazanium
CID 4742597
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene (CID 66608233) is 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene is CCc1ccc(Cc2ccc(OC)c(Br)c2)s1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
The InChIKey is XZSRPKPERHKKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-3-11-5-6-12(17-11)8-10-4-7-14(16-2)13(15)9-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene?
2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene has a molecular weight of 311.24 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 66608233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).