3-[(3-bromophenoxy)methyl]furan

C11H9BrO2 — CID 83171988

IUPAC3-[(3-bromophenoxy)methyl]furan
SMILESBrc1cccc(OCc2ccoc2)c1
InChIInChI=1S/C11H9BrO2/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-7H,8H2
InChIKeyQCCOSMZWRLQSMH-UHFFFAOYSA-N
MW253.10 g/mol
LogP3.62
Rot. Bonds3

About 3-[(3-bromophenoxy)methyl]furan

3-[(3-bromophenoxy)methyl]furan (PubChem CID 83171988) has the molecular formula C11H9BrO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]furan.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]furan
PubChem CID83171988
Molecular FormulaC11H9BrO2
Molecular Weight253.10 g/mol
Exact Mass251.98
IUPAC Name3-[(3-bromophenoxy)methyl]furan
SMILESBrc1cccc(OCc2ccoc2)c1
InChIInChI=1S/C11H9BrO2/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-7H,8H2
InChIKeyQCCOSMZWRLQSMH-UHFFFAOYSA-N
XLogP3.62
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
5-bromo-2-(furan-3-ylmethoxy)benzoic acid
CID 107729545
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
5-[(3-bromophenoxy)methyl]-2-methylphenol
CID 117221825
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenoxy)methyl]furan?
The IUPAC name of 3-[(3-bromophenoxy)methyl]furan (CID 83171988) is 3-[(3-bromophenoxy)methyl]furan.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]furan?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]furan is Brc1cccc(OCc2ccoc2)c1.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]furan?
The InChIKey is QCCOSMZWRLQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-7H,8H2.
What are the key properties of 3-[(3-bromophenoxy)methyl]furan?
3-[(3-bromophenoxy)methyl]furan has a molecular weight of 253.10 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenoxy)methyl]furan is sourced from PubChem (CID 83171988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).