3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate

C23H17O5- — CID 140796504

IUPAC3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate
SMILESCc1c(CC(=O)COc2ccc3oc4ccccc4c3c2)cccc1C(=O)[O-]
InChIInChI=1S/C23H18O5/c1-14-15(5-4-7-18(14)23(25)26)11-16(24)13-27-17-9-10-22-20(12-17)19-6-2-3-8-21(19)28-22/h2-10,12H,11,13H2,1H3,(H,25,26)/p-1
InChIKeyVEDMFJUBMARYMW-UHFFFAOYSA-M
MW373.38 g/mol
LogP3.45
Rot. Bonds6

About 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate

3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate (PubChem CID 140796504) has the molecular formula C23H17O5- and a molecular weight of 373.38 g/mol. Its IUPAC name is 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate.

Molecular Properties

Compound Name3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate
PubChem CID140796504
Molecular FormulaC23H17O5-
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate
SMILESCc1c(CC(=O)COc2ccc3oc4ccccc4c3c2)cccc1C(=O)[O-]
InChIInChI=1S/C23H18O5/c1-14-15(5-4-7-18(14)23(25)26)11-16(24)13-27-17-9-10-22-20(12-17)19-6-2-3-8-21(19)28-22/h2-10,12H,11,13H2,1H3,(H,25,26)/p-1
InChIKeyVEDMFJUBMARYMW-UHFFFAOYSA-M
XLogP3.45
TPSA79.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
2-dibenzofuran-2-yloxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7916392
2-[(2-dibenzofuran-2-yloxyacetyl)-methylamino]-N,N-diethylacetamide
CID 9229917
(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
CID 71530111
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
CID 46671265
2-dibenzofuran-2-yloxy-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 26898105

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate?
The IUPAC name of 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate (CID 140796504) is 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate.
What is the SMILES notation for 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate?
The canonical SMILES for 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate is Cc1c(CC(=O)COc2ccc3oc4ccccc4c3c2)cccc1C(=O)[O-].
What is the InChIKey of 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate?
The InChIKey is VEDMFJUBMARYMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18O5/c1-14-15(5-4-7-18(14)23(25)26)11-16(24)13-27-17-9-10-22-20(12-17)19-6-2-3-8-21(19)28-22/h2-10,12H,11,13H2,1H3,(H,25,26)/p-1.
What are the key properties of 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate?
3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate has a molecular weight of 373.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate is sourced from PubChem (CID 140796504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).