2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene

C12H10BrClOS — CID 63457739

IUPAC2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
SMILESCc1ccc(OCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrClOS/c1-8-2-4-11(10(14)6-8)15-7-9-3-5-12(13)16-9/h2-6H,7H2,1H3
InChIKeyWHZRLNNZHYJYSX-UHFFFAOYSA-N
MW317.64 g/mol
LogP5.05
Rot. Bonds3

About 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene

2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene (PubChem CID 63457739) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
PubChem CID63457739
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
SMILESCc1ccc(OCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C12H10BrClOS/c1-8-2-4-11(10(14)6-8)15-7-9-3-5-12(13)16-9/h2-6H,7H2,1H3
InChIKeyWHZRLNNZHYJYSX-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.64
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63650136
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
3-[2-[(5-bromothiophen-2-yl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 77011370
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene?
The IUPAC name of 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene (CID 63457739) is 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene is Cc1ccc(OCc2ccc(Br)s2)c(Cl)c1.
What is the InChIKey of 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene?
The InChIKey is WHZRLNNZHYJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c1-8-2-4-11(10(14)6-8)15-7-9-3-5-12(13)16-9/h2-6H,7H2,1H3.
What are the key properties of 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene?
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene has a molecular weight of 317.64 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene is sourced from PubChem (CID 63457739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).