2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran

C30H26O5 — CID 102296681

IUPAC2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C30H26O5/c1-31-26-16-22(17-27(32-2)30(26)33-3)28-24-18-23(34-19-20-10-6-4-7-11-20)14-15-25(24)35-29(28)21-12-8-5-9-13-21/h4-18H,19H2,1-3H3
InChIKeyXCCASTKHUBNFLW-UHFFFAOYSA-N
MW466.53 g/mol
LogP7.37
Rot. Bonds8

About 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran

2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran (PubChem CID 102296681) has the molecular formula C30H26O5 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
PubChem CID102296681
Molecular FormulaC30H26O5
Molecular Weight466.53 g/mol
Exact Mass466.18
IUPAC Name2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)cc(OC)c1OC
InChIInChI=1S/C30H26O5/c1-31-26-16-22(17-27(32-2)30(26)33-3)28-24-18-23(34-19-20-10-6-4-7-11-20)14-15-25(24)35-29(28)21-12-8-5-9-13-21/h4-18H,19H2,1-3H3
InChIKeyXCCASTKHUBNFLW-UHFFFAOYSA-N
XLogP7.37
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
1-methyl-4-(2-phenyl-5-phenylmethoxy-1-benzofuran-3-yl)piperazine
CID 13020578
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323
6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
5-[(4-bromophenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
CID 1185464
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
CID 11428312
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
2-oxido-4-(3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-2-ium
CID 141465486
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851
CID 123516675
CID 123516675
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The IUPAC name of 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran (CID 102296681) is 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran is COc1cc(-c2c(-c3ccccc3)oc3ccc(OCc4ccccc4)cc23)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The InChIKey is XCCASTKHUBNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O5/c1-31-26-16-22(17-27(32-2)30(26)33-3)28-24-18-23(34-19-20-10-6-4-7-11-20)14-15-25(24)35-29(28)21-12-8-5-9-13-21/h4-18H,19H2,1-3H3.
What are the key properties of 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran?
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran has a molecular weight of 466.53 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran is sourced from PubChem (CID 102296681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).