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

C33H24O4 — CID 71485852

IUPAC[1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3c(OCc4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C33H24O4/c1-35-26-18-16-23(17-19-26)29-30-27-15-9-8-14-25(27)20-28(36-21-22-10-4-2-5-11-22)32(30)37-33(29)31(34)24-12-6-3-7-13-24/h2-20H,21H2,1H3
InChIKeyGGFZODCHRAOPPD-UHFFFAOYSA-N
MW484.55 g/mol
LogP8.07
Rot. Bonds7

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

[1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone (PubChem CID 71485852) has the molecular formula C33H24O4 and a molecular weight of 484.55 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
PubChem CID71485852
Molecular FormulaC33H24O4
Molecular Weight484.55 g/mol
Exact Mass484.17
IUPAC Name[1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2c(C(=O)c3ccccc3)oc3c(OCc4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C33H24O4/c1-35-26-18-16-23(17-19-26)29-30-27-15-9-8-14-25(27)20-28(36-21-22-10-4-2-5-11-22)32(30)37-33(29)31(34)24-12-6-3-7-13-24/h2-20H,21H2,1H3
InChIKeyGGFZODCHRAOPPD-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)-8-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone
CID 71485851
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
3,5-bis[[4-[4-(4-methoxyphenyl)naphthalen-1-yl]phenyl]methoxy]benzoate
CID 101386892
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
bis[1-(3-methoxy-4-phenylmethoxyphenyl)naphthalen-2-yl]methanone;manganese;bis(oxygen(2-))
CID 158376040
3-(4-methoxyphenyl)-2,6-dimethyl-4-phenylmethoxypyridine
CID 15171436
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone (CID 71485852) is [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone is COc1ccc(-c2c(C(=O)c3ccccc3)oc3c(OCc4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
The InChIKey is GGFZODCHRAOPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O4/c1-35-26-18-16-23(17-19-26)29-30-27-15-9-8-14-25(27)20-28(36-21-22-10-4-2-5-11-22)32(30)37-33(29)31(34)24-12-6-3-7-13-24/h2-20H,21H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone?
[1-(4-methoxyphenyl)-4-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)-4-phenylmethoxybenzo[e][1]benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 71485852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).