cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate

C23H24O6 — CID 67467744

IUPACcyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)c(OCC(=O)OCC2CC2)c1OC
InChIInChI=1S/C23H24O6/c1-26-20-10-8-18(16-5-7-17-15(11-16)6-9-19(17)24)22(23(20)27-2)29-13-21(25)28-12-14-3-4-14/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3
InChIKeyAABVLMFRZQIFCW-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.83
Rot. Bonds8

About cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate

cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate (PubChem CID 67467744) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate
PubChem CID67467744
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Namecyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate
SMILESCOc1ccc(-c2ccc3c(c2)CCC3=O)c(OCC(=O)OCC2CC2)c1OC
InChIInChI=1S/C23H24O6/c1-26-20-10-8-18(16-5-7-17-15(11-16)6-9-19(17)24)22(23(20)27-2)29-13-21(25)28-12-14-3-4-14/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3
InChIKeyAABVLMFRZQIFCW-UHFFFAOYSA-N
XLogP3.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate?
The IUPAC name of cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate (CID 67467744) is cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate.
What is the SMILES notation for cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate?
The canonical SMILES for cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate is COc1ccc(-c2ccc3c(c2)CCC3=O)c(OCC(=O)OCC2CC2)c1OC.
What is the InChIKey of cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate?
The InChIKey is AABVLMFRZQIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-26-20-10-8-18(16-5-7-17-15(11-16)6-9-19(17)24)22(23(20)27-2)29-13-21(25)28-12-14-3-4-14/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3.
What are the key properties of cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate?
cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate has a molecular weight of 396.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-5-yl)phenoxy]acetate is sourced from PubChem (CID 67467744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).