methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate

C29H22O4 — CID 11327979

IUPACmethyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H22O4/c1-31-29(30)28(23-7-3-2-4-8-23)32-25-17-15-21(16-18-25)20-11-13-22(14-12-20)27-19-24-9-5-6-10-26(24)33-27/h2-19,28H,1H3
InChIKeyBXTZNECSSGCFGY-UHFFFAOYSA-N
MW434.49 g/mol
LogP7.06
Rot. Bonds6

About methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate

methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate (PubChem CID 11327979) has the molecular formula C29H22O4 and a molecular weight of 434.49 g/mol. Its IUPAC name is methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
PubChem CID11327979
Molecular FormulaC29H22O4
Molecular Weight434.49 g/mol
Exact Mass434.15
IUPAC Namemethyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H22O4/c1-31-29(30)28(23-7-3-2-4-8-23)32-25-17-15-21(16-18-25)20-11-13-22(14-12-20)27-19-24-9-5-6-10-26(24)33-27/h2-19,28H,1H3
InChIKeyBXTZNECSSGCFGY-UHFFFAOYSA-N
XLogP7.06
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
methyl (2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
CID 7345331
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
methyl (2S)-2-[4-(2-oxochromen-3-yl)phenoxy]propanoate
CID 42155073
ethyl (2R)-2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxy-2-phenylacetate
CID 2062748
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
(2S)-2-amino-3-[4-(1-benzofuran-2-yl)phenyl]propanoic acid
CID 68534596
1-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-amine
CID 146224407
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
methyl (2S)-2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxypropanoate
CID 7295531
methyl 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]oxypropanoate
CID 16803250
2-[4-[4-[2-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenoxy]-2-phenylacetic acid
CID 68982927

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate?
The IUPAC name of methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate (CID 11327979) is methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate.
What is the SMILES notation for methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate?
The canonical SMILES for methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate is COC(=O)C(Oc1ccc(-c2ccc(-c3cc4ccccc4o3)cc2)cc1)c1ccccc1.
What is the InChIKey of methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate?
The InChIKey is BXTZNECSSGCFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O4/c1-31-29(30)28(23-7-3-2-4-8-23)32-25-17-15-21(16-18-25)20-11-13-22(14-12-20)27-19-24-9-5-6-10-26(24)33-27/h2-19,28H,1H3.
What are the key properties of methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate?
methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate has a molecular weight of 434.49 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(1-benzofuran-2-yl)phenyl]phenoxy]-2-phenylacetate is sourced from PubChem (CID 11327979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).