2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran

C18H15BrO2 — CID 63437977

IUPAC2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Br)c2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C18H15BrO2/c1-13-7-12-17(20-13)18(19)14-8-10-16(11-9-14)21-15-5-3-2-4-6-15/h2-12,18H,1H3
InChIKeyFDBFZASTAZOGED-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.86
Rot. Bonds4

About 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran

2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran (PubChem CID 63437977) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
PubChem CID63437977
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Br)c2ccc(Oc3ccccc3)cc2)o1
InChIInChI=1S/C18H15BrO2/c1-13-7-12-17(20-13)18(19)14-8-10-16(11-9-14)21-15-5-3-2-4-6-15/h2-12,18H,1H3
InChIKeyFDBFZASTAZOGED-UHFFFAOYSA-N
XLogP5.86
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.86
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-chlorophenyl)methyl]-5-methylfuran
CID 61086501
3-[bromo-(4-phenoxyphenyl)methyl]furan
CID 63437933
2-bromo-5-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437888
2-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 63437846
2-bromo-4-[bromo-(4-phenoxyphenyl)methyl]thiophene
CID 107964615
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
1-(1-bromoethyl)-4-[4-(1-bromoethyl)phenoxy]benzene
CID 21417768
N,N'-dimethyl-1-(4-phenoxyphenyl)methanediamine
CID 116954329
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran?
The IUPAC name of 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran (CID 63437977) is 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran?
The canonical SMILES for 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran is Cc1ccc(C(Br)c2ccc(Oc3ccccc3)cc2)o1.
What is the InChIKey of 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran?
The InChIKey is FDBFZASTAZOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-13-7-12-17(20-13)18(19)14-8-10-16(11-9-14)21-15-5-3-2-4-6-15/h2-12,18H,1H3.
What are the key properties of 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran?
2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran has a molecular weight of 343.22 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran is sourced from PubChem (CID 63437977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).