methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate

C31H26O6 — CID 70139982

IUPACmethyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C1(c2ccccc2OCC(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26O6/c1-34-29(32)19-36-27-17-9-7-15-25(27)31(26-16-8-10-18-28(26)37-20-30(33)35-2)23-13-5-3-11-21(23)22-12-4-6-14-24(22)31/h3-18H,19-20H2,1-2H3
InChIKeyNZDLDTISUBVULX-UHFFFAOYSA-N
MW494.54 g/mol
LogP5.15
Rot. Bonds8

About methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate

methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate (PubChem CID 70139982) has the molecular formula C31H26O6 and a molecular weight of 494.54 g/mol. Its IUPAC name is methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate
PubChem CID70139982
Molecular FormulaC31H26O6
Molecular Weight494.54 g/mol
Exact Mass494.17
IUPAC Namemethyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C1(c2ccccc2OCC(=O)OC)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26O6/c1-34-29(32)19-36-27-17-9-7-15-25(27)31(26-16-8-10-18-28(26)37-20-30(33)35-2)23-13-5-3-11-21(23)22-12-4-6-14-24(22)31/h3-18H,19-20H2,1-2H3
InChIKeyNZDLDTISUBVULX-UHFFFAOYSA-N
XLogP5.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate (CID 70139982) is methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate is COC(=O)COc1ccccc1C1(c2ccccc2OCC(=O)OC)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate?
The InChIKey is NZDLDTISUBVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O6/c1-34-29(32)19-36-27-17-9-7-15-25(27)31(26-16-8-10-18-28(26)37-20-30(33)35-2)23-13-5-3-11-21(23)22-12-4-6-14-24(22)31/h3-18H,19-20H2,1-2H3.
What are the key properties of methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate?
methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate has a molecular weight of 494.54 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[9-[2-(2-methoxy-2-oxoethoxy)phenyl]fluoren-9-yl]phenoxy]acetate is sourced from PubChem (CID 70139982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).