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

C12H11BrO2S — CID 28562651

IUPAC[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H11BrO2S/c13-12-6-5-10(16-12)8-15-11-4-2-1-3-9(11)7-14/h1-6,14H,7-8H2
InChIKeyDLBOUMZOSZNTHB-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.58
Rot. Bonds4

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

[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol (PubChem CID 28562651) has the molecular formula C12H11BrO2S and a molecular weight of 299.19 g/mol. Its IUPAC name is [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
PubChem CID28562651
Molecular FormulaC12H11BrO2S
Molecular Weight299.19 g/mol
Exact Mass297.97
IUPAC Name[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
SMILESOCc1ccccc1OCc1ccc(Br)s1
InChIInChI=1S/C12H11BrO2S/c13-12-6-5-10(16-12)8-15-11-4-2-1-3-9(11)7-14/h1-6,14H,7-8H2
InChIKeyDLBOUMZOSZNTHB-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
2-bromo-5-[(2-phenylphenoxy)methyl]thiophene
CID 63458852
(1S)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 78931628
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
CID 63534198
(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 55189899
2-bromo-5-[(4-nitronaphthalen-1-yl)oxymethyl]thiophene
CID 63691873
2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
CID 63936755
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037
1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882456
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol (CID 28562651) is [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol is OCc1ccccc1OCc1ccc(Br)s1.
What is the InChIKey of [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The InChIKey is DLBOUMZOSZNTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2S/c13-12-6-5-10(16-12)8-15-11-4-2-1-3-9(11)7-14/h1-6,14H,7-8H2.
What are the key properties of [2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol has a molecular weight of 299.19 g/mol, XLogP of 3.58, 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]phenyl]methanol is sourced from PubChem (CID 28562651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).