[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol

C12H10BrClO2S — CID 43141922

IUPAC[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H10BrClO2S/c13-12-4-2-10(17-12)7-16-11-3-1-9(14)5-8(11)6-15/h1-5,15H,6-7H2
InChIKeyCLIFYIFSJQGYMY-UHFFFAOYSA-N
MW333.63 g/mol
LogP4.24
Rot. Bonds4

About [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol

[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol (PubChem CID 43141922) has the molecular formula C12H10BrClO2S and a molecular weight of 333.63 g/mol. Its IUPAC name is [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
PubChem CID43141922
Molecular FormulaC12H10BrClO2S
Molecular Weight333.63 g/mol
Exact Mass331.93
IUPAC Name[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H10BrClO2S/c13-12-4-2-10(17-12)7-16-11-3-1-9(14)5-8(11)6-15/h1-5,15H,6-7H2
InChIKeyCLIFYIFSJQGYMY-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 28562651
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
CID 106264375
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol?
The IUPAC name of [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol (CID 43141922) is [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol.
What is the SMILES notation for [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol?
The canonical SMILES for [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol is OCc1cc(Cl)ccc1OCc1ccc(Br)s1.
What is the InChIKey of [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol?
The InChIKey is CLIFYIFSJQGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO2S/c13-12-4-2-10(17-12)7-16-11-3-1-9(14)5-8(11)6-15/h1-5,15H,6-7H2.
What are the key properties of [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol?
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol has a molecular weight of 333.63 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol is sourced from PubChem (CID 43141922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).