5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran

C22H17BrO2 — CID 19918528

IUPAC5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
SMILESBrc1ccc2oc(Cc3ccc(OCc4ccccc4)cc3)cc2c1
InChIInChI=1S/C22H17BrO2/c23-19-8-11-22-18(13-19)14-21(25-22)12-16-6-9-20(10-7-16)24-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2
InChIKeyYDWZXRLKIXDCDU-UHFFFAOYSA-N
MW393.28 g/mol
LogP6.37
Rot. Bonds5

About 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran

5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran (PubChem CID 19918528) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
PubChem CID19918528
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran
SMILESBrc1ccc2oc(Cc3ccc(OCc4ccccc4)cc3)cc2c1
InChIInChI=1S/C22H17BrO2/c23-19-8-11-22-18(13-19)14-21(25-22)12-16-6-9-20(10-7-16)24-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2
InChIKeyYDWZXRLKIXDCDU-UHFFFAOYSA-N
XLogP6.37
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
4-bromo-1-chloro-2-[(4-phenylmethoxyphenyl)methyl]benzene
CID 66875668
N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65438802
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
6-bromo-2-oxo-N'-[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]chromene-3-carbohydrazide
CID 996211
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
2-benzyl-5-bromo-7-methoxy-1-benzofuran
CID 132548395
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran?
The IUPAC name of 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran (CID 19918528) is 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran.
What is the SMILES notation for 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran?
The canonical SMILES for 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran is Brc1ccc2oc(Cc3ccc(OCc4ccccc4)cc3)cc2c1.
What is the InChIKey of 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran?
The InChIKey is YDWZXRLKIXDCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO2/c23-19-8-11-22-18(13-19)14-21(25-22)12-16-6-9-20(10-7-16)24-15-17-4-2-1-3-5-17/h1-11,13-14H,12,15H2.
What are the key properties of 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran?
5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran has a molecular weight of 393.28 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran is sourced from PubChem (CID 19918528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).