ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane

C61H60O9 — CID 174800986

IUPACethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane
SMILESCCOCC.COC.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/3C14H12O2.C13H8O.C4H10O.C2H6O/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-5-4-2;1-3-2/h3*1-10,13,15H;1-8H;3-4H2,1-2H3;1-2H3
InChIKeyDPBKUINNOUAXTP-UHFFFAOYSA-N
MW937.14 g/mol
LogP12.01
Rot. Bonds11

About ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane

ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane (PubChem CID 174800986) has the molecular formula C61H60O9 and a molecular weight of 937.14 g/mol. Its IUPAC name is ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane.

Molecular Properties

Compound Nameethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane
PubChem CID174800986
Molecular FormulaC61H60O9
Molecular Weight937.14 g/mol
Exact Mass936.42
IUPAC Nameethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane
SMILESCCOCC.COC.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/3C14H12O2.C13H8O.C4H10O.C2H6O/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-5-4-2;1-3-2/h3*1-10,13,15H;1-8H;3-4H2,1-2H3;1-2H3
InChIKeyDPBKUINNOUAXTP-UHFFFAOYSA-N
XLogP12.01
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.14
LogP ≤ 512.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane?
The IUPAC name of ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane (CID 174800986) is ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane.
What is the SMILES notation for ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane?
The canonical SMILES for ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane is CCOCC.COC.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1.O=C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane?
The InChIKey is DPBKUINNOUAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H12O2.C13H8O.C4H10O.C2H6O/c3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-5-4-2;1-3-2/h3*1-10,13,15H;1-8H;3-4H2,1-2H3;1-2H3.
What are the key properties of ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane?
ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane has a molecular weight of 937.14 g/mol, XLogP of 12.01, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;fluoren-9-one;tris(2-hydroxy-1,2-diphenylethanone);methoxymethane is sourced from PubChem (CID 174800986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).