2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde

C13H11BrO3S — CID 43267878

IUPAC2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2ccc(Br)s2)c(C=O)c1
InChIInChI=1S/C13H11BrO3S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-7H,8H2,1H3
InChIKeyIMFZBRBQUQERPY-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.91
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde

2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde (PubChem CID 43267878) has the molecular formula C13H11BrO3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
PubChem CID43267878
Molecular FormulaC13H11BrO3S
Molecular Weight327.20 g/mol
Exact Mass325.96
IUPAC Name2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2ccc(Br)s2)c(C=O)c1
InChIInChI=1S/C13H11BrO3S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-7H,8H2,1H3
InChIKeyIMFZBRBQUQERPY-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromothiophen-2-yl)methoxy]-4-methoxybenzaldehyde
CID 24701994
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
CID 28838282
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
3-[2-[(5-bromothiophen-2-yl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 77011370
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde (CID 43267878) is 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde is COc1ccc(OCc2ccc(Br)s2)c(C=O)c1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde?
The InChIKey is IMFZBRBQUQERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde?
2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde has a molecular weight of 327.20 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methoxy]-5-methoxybenzaldehyde is sourced from PubChem (CID 43267878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).