[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone

C33H24O4 — CID 71485851

IUPAC[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4ccc(OCc5ccccc5)cc4c23)cc1
InChIInChI=1S/C33H24O4/c1-35-26-16-13-24(14-17-26)30-31-28-20-27(36-21-22-8-4-2-5-9-22)18-12-23(28)15-19-29(31)37-33(30)32(34)25-10-6-3-7-11-25/h2-20H,21H2,1H3
InChIKeyMGHBFNRSLJVOKA-UHFFFAOYSA-N
MW484.55 g/mol
LogP8.07
Rot. Bonds7

About [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone

[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone (PubChem CID 71485851) has the molecular formula C33H24O4 and a molecular weight of 484.55 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
PubChem CID71485851
Molecular FormulaC33H24O4
Molecular Weight484.55 g/mol
Exact Mass484.17
IUPAC Name[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4ccc(OCc5ccccc5)cc4c23)cc1
InChIInChI=1S/C33H24O4/c1-35-26-16-13-24(14-17-26)30-31-28-20-27(36-21-22-8-4-2-5-9-22)18-12-23(28)15-19-29(31)37-33(30)32(34)25-10-6-3-7-11-25/h2-20H,21H2,1H3
InChIKeyMGHBFNRSLJVOKA-UHFFFAOYSA-N
XLogP8.07
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485852
[6-methoxy-3-(4-methoxyphenyl)-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 22592534
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
(3-bromo-4-methyl-6-phenylmethoxy-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 67619870
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
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
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
2-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)pyrimidine-4-carboxylic acid
CID 170356732

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone (CID 71485851) is [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone is COc1ccc(-c2c(C(=O)c3ccccc3)oc3ccc4ccc(OCc5ccccc5)cc4c23)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The InChIKey is MGHBFNRSLJVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O4/c1-35-26-16-13-24(14-17-26)30-31-28-20-27(36-21-22-8-4-2-5-9-22)18-12-23(28)15-19-29(31)37-33(30)32(34)25-10-6-3-7-11-25/h2-20H,21H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
[1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone has a molecular weight of 484.55 g/mol, XLogP of 8.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 71485851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).