[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol

C12H10Br2O2S — CID 55147528

IUPAC[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C12H10Br2O2S/c13-10-5-8(6-15)1-3-11(10)16-7-9-2-4-12(14)17-9/h1-5,15H,6-7H2
InChIKeyDEIZHDOZAOSXIP-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.34
Rot. Bonds4

About [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol

[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol (PubChem CID 55147528) has the molecular formula C12H10Br2O2S and a molecular weight of 378.09 g/mol. Its IUPAC name is [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
PubChem CID55147528
Molecular FormulaC12H10Br2O2S
Molecular Weight378.09 g/mol
Exact Mass375.88
IUPAC Name[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C12H10Br2O2S/c13-10-5-8(6-15)1-3-11(10)16-7-9-2-4-12(14)17-9/h1-5,15H,6-7H2
InChIKeyDEIZHDOZAOSXIP-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.34
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-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 28562651
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
CID 55219495
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
2-[4-[(5-bromothiophen-2-yl)methoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320770
1-[3-bromo-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422250
2-bromo-5-[(2-phenylphenoxy)methyl]thiophene
CID 63458852
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol (CID 55147528) is [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(Br)s2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
The InChIKey is DEIZHDOZAOSXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2S/c13-10-5-8(6-15)1-3-11(10)16-7-9-2-4-12(14)17-9/h1-5,15H,6-7H2.
What are the key properties of [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol?
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol has a molecular weight of 378.09 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 55147528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).