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

C22H26O3 — CID 141047910

IUPAC[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate
SMILESCOCC1(COC(C)=O)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C22H26O3/c1-13-7-18-19-8-14(2)16(4)10-21(19)22(11-24-6,12-25-17(5)23)20(18)9-15(13)3/h7-10H,11-12H2,1-6H3
InChIKeyOIGHBAQBPSALEK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.40
Rot. Bonds4

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

[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate (PubChem CID 141047910) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate.

Molecular Properties

Compound Name[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate
PubChem CID141047910
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate
SMILESCOCC1(COC(C)=O)c2cc(C)c(C)cc2-c2cc(C)c(C)cc21
InChIInChI=1S/C22H26O3/c1-13-7-18-19-8-14(2)16(4)10-21(19)22(11-24-6,12-25-17(5)23)20(18)9-15(13)3/h7-10H,11-12H2,1-6H3
InChIKeyOIGHBAQBPSALEK-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate?
The IUPAC name of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate (CID 141047910) is [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate.
What is the SMILES notation for [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate?
The canonical SMILES for [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate is COCC1(COC(C)=O)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 acetate?
The InChIKey is OIGHBAQBPSALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-13-7-18-19-8-14(2)16(4)10-21(19)22(11-24-6,12-25-17(5)23)20(18)9-15(13)3/h7-10H,11-12H2,1-6H3.
What are the key properties of [9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate?
[9-(methoxymethyl)-2,3,6,7-tetramethylfluoren-9-yl]methyl acetate has a molecular weight of 338.45 g/mol, XLogP of 4.40, 4 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 acetate is sourced from PubChem (CID 141047910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).