3-[bromo-(4-phenoxyphenyl)methyl]furan

C17H13BrO2 — CID 63437933

IUPAC3-[bromo-(4-phenoxyphenyl)methyl]furan
SMILESBrC(c1ccc(Oc2ccccc2)cc1)c1ccoc1
InChIInChI=1S/C17H13BrO2/c18-17(14-10-11-19-12-14)13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-12,17H
InChIKeyDYJOMEAHRXRHEW-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.56
Rot. Bonds4

About 3-[bromo-(4-phenoxyphenyl)methyl]furan

3-[bromo-(4-phenoxyphenyl)methyl]furan (PubChem CID 63437933) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 3-[bromo-(4-phenoxyphenyl)methyl]furan.

Molecular Properties

Compound Name3-[bromo-(4-phenoxyphenyl)methyl]furan
PubChem CID63437933
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name3-[bromo-(4-phenoxyphenyl)methyl]furan
SMILESBrC(c1ccc(Oc2ccccc2)cc1)c1ccoc1
InChIInChI=1S/C17H13BrO2/c18-17(14-10-11-19-12-14)13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-12,17H
InChIKeyDYJOMEAHRXRHEW-UHFFFAOYSA-N
XLogP5.56
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
CID 63437977
2-bromo-4-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 107964615
2-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437846
2-bromo-5-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437888
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
1-(1-bromoethyl)-4-[4-(1-bromoethyl)phenoxy]benzene
CID 21417768
3-[chloro-(4-phenylphenyl)methyl]furan
CID 55197732
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
1-(2,2-dichloro-1-phenylethyl)-4-phenoxybenzene
CID 151834044

Frequently Asked Questions

What is the IUPAC name of 3-[bromo-(4-phenoxyphenyl)methyl]furan?
The IUPAC name of 3-[bromo-(4-phenoxyphenyl)methyl]furan (CID 63437933) is 3-[bromo-(4-phenoxyphenyl)methyl]furan.
What is the SMILES notation for 3-[bromo-(4-phenoxyphenyl)methyl]furan?
The canonical SMILES for 3-[bromo-(4-phenoxyphenyl)methyl]furan is BrC(c1ccc(Oc2ccccc2)cc1)c1ccoc1.
What is the InChIKey of 3-[bromo-(4-phenoxyphenyl)methyl]furan?
The InChIKey is DYJOMEAHRXRHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-17(14-10-11-19-12-14)13-6-8-16(9-7-13)20-15-4-2-1-3-5-15/h1-12,17H.
What are the key properties of 3-[bromo-(4-phenoxyphenyl)methyl]furan?
3-[bromo-(4-phenoxyphenyl)methyl]furan has a molecular weight of 329.19 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bromo-(4-phenoxyphenyl)methyl]furan is sourced from PubChem (CID 63437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).