3-[(4-bromophenoxy)methyl]chromen-4-one

C16H11BrO3 — CID 166068093

IUPAC3-[(4-bromophenoxy)methyl]chromen-4-one
SMILESO=c1c(COc2ccc(Br)cc2)coc2ccccc12
InChIInChI=1S/C16H11BrO3/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18/h1-8,10H,9H2
InChIKeyDGHUAZDSYHUVIS-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.13
Rot. Bonds3

About 3-[(4-bromophenoxy)methyl]chromen-4-one

3-[(4-bromophenoxy)methyl]chromen-4-one (PubChem CID 166068093) has the molecular formula C16H11BrO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-[(4-bromophenoxy)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[(4-bromophenoxy)methyl]chromen-4-one
PubChem CID166068093
Molecular FormulaC16H11BrO3
Molecular Weight331.17 g/mol
Exact Mass329.99
IUPAC Name3-[(4-bromophenoxy)methyl]chromen-4-one
SMILESO=c1c(COc2ccc(Br)cc2)coc2ccccc12
InChIInChI=1S/C16H11BrO3/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18/h1-8,10H,9H2
InChIKeyDGHUAZDSYHUVIS-UHFFFAOYSA-N
XLogP4.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
3-(2-aminoethyl)chromen-4-one
CID 55212083
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
3-hydroxy-N-[(E)-[3-[(4-oxochromen-3-yl)methoxy]phenyl]methylideneamino]benzamide
CID 172940474
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117177645
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenoxy)methyl]chromen-4-one?
The IUPAC name of 3-[(4-bromophenoxy)methyl]chromen-4-one (CID 166068093) is 3-[(4-bromophenoxy)methyl]chromen-4-one.
What is the SMILES notation for 3-[(4-bromophenoxy)methyl]chromen-4-one?
The canonical SMILES for 3-[(4-bromophenoxy)methyl]chromen-4-one is O=c1c(COc2ccc(Br)cc2)coc2ccccc12.
What is the InChIKey of 3-[(4-bromophenoxy)methyl]chromen-4-one?
The InChIKey is DGHUAZDSYHUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c17-12-5-7-13(8-6-12)19-9-11-10-20-15-4-2-1-3-14(15)16(11)18/h1-8,10H,9H2.
What are the key properties of 3-[(4-bromophenoxy)methyl]chromen-4-one?
3-[(4-bromophenoxy)methyl]chromen-4-one has a molecular weight of 331.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenoxy)methyl]chromen-4-one is sourced from PubChem (CID 166068093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).