[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate

C23H28O3 — CID 141047897

IUPAC[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C23H28O3/c1-7-22(24)26-13-23(12-25-6)20-10-16(4)14(2)8-18(20)19-9-15(3)17(5)11-21(19)23/h8-11H,7,12-13H2,1-6H3
InChIKeyWBRVFRODTUPZEL-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.79
Rot. Bonds5

About [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate

[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate (PubChem CID 141047897) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate.

Molecular Properties

Compound Name[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate
PubChem CID141047897
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate
SMILESCCC(=O)OCC1(COC)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C23H28O3/c1-7-22(24)26-13-23(12-25-6)20-10-16(4)14(2)8-18(20)19-9-15(3)17(5)11-21(19)23/h8-11H,7,12-13H2,1-6H3
InChIKeyWBRVFRODTUPZEL-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate
CID 141047910
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CID 144875458
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
ethyl propanoate;tin(2+);dichloride
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[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] propanoate
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2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921

Frequently Asked Questions

What is the IUPAC name of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate?
The IUPAC name of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate (CID 141047897) is [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate.
What is the SMILES notation for [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate?
The canonical SMILES for [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate is CCC(=O)OCC1(COC)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21.
What is the InChIKey of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate?
The InChIKey is WBRVFRODTUPZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3/c1-7-22(24)26-13-23(12-25-6)20-10-16(4)14(2)8-18(20)19-9-15(3)17(5)11-21(19)23/h8-11H,7,12-13H2,1-6H3.
What are the key properties of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate?
[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate has a molecular weight of 352.47 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl propanoate is sourced from PubChem (CID 141047897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).