2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran

C29H24O4 — CID 141293707

IUPAC2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
SMILESCOc1ccc2cc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)oc2c1
InChIInChI=1S/C29H24O4/c1-30-24-13-12-23-16-29(33-27(23)17-24)26-15-14-25(31-19-21-8-4-2-5-9-21)18-28(26)32-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3
InChIKeyOJFLHRZURWQIID-UHFFFAOYSA-N
MW436.51 g/mol
LogP7.27
Rot. Bonds8

About 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran

2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran (PubChem CID 141293707) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran.

Molecular Properties

Compound Name2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
PubChem CID141293707
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
SMILESCOc1ccc2cc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)oc2c1
InChIInChI=1S/C29H24O4/c1-30-24-13-12-23-16-29(33-27(23)17-24)26-15-14-25(31-19-21-8-4-2-5-9-21)18-28(26)32-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3
InChIKeyOJFLHRZURWQIID-UHFFFAOYSA-N
XLogP7.27
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole
CID 10049428
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54728020
CID 123516675
CID 123516675
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran?
The IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran (CID 141293707) is 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran.
What is the SMILES notation for 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran?
The canonical SMILES for 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran is COc1ccc2cc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)oc2c1.
What is the InChIKey of 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran?
The InChIKey is OJFLHRZURWQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4/c1-30-24-13-12-23-16-29(33-27(23)17-24)26-15-14-25(31-19-21-8-4-2-5-9-21)18-28(26)32-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3.
What are the key properties of 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran?
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran has a molecular weight of 436.51 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran is sourced from PubChem (CID 141293707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).