ethane;bis(fluoren-9-one);methanol

C32H36O4 — CID 162250310

IUPACethane;bis(fluoren-9-one);methanol
SMILESCC.CC.CO.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/2C13H8O.2C2H6.2CH4O/c2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;4*1-2/h2*1-8H;2*1-2H3;2*2H,1H3
InChIKeyZXWYHZMWFPXIEL-UHFFFAOYSA-N
MW484.64 g/mol
LogP7.07
Rot. Bonds

About ethane;bis(fluoren-9-one);methanol

ethane;bis(fluoren-9-one);methanol (PubChem CID 162250310) has the molecular formula C32H36O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is ethane;bis(fluoren-9-one);methanol.

Molecular Properties

Compound Nameethane;bis(fluoren-9-one);methanol
PubChem CID162250310
Molecular FormulaC32H36O4
Molecular Weight484.64 g/mol
Exact Mass484.26
IUPAC Nameethane;bis(fluoren-9-one);methanol
SMILESCC.CC.CO.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/2C13H8O.2C2H6.2CH4O/c2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;4*1-2/h2*1-8H;2*1-2H3;2*2H,1H3
InChIKeyZXWYHZMWFPXIEL-UHFFFAOYSA-N
XLogP7.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(fluoren-9-one);methanol?
The IUPAC name of ethane;bis(fluoren-9-one);methanol (CID 162250310) is ethane;bis(fluoren-9-one);methanol.
What is the SMILES notation for ethane;bis(fluoren-9-one);methanol?
The canonical SMILES for ethane;bis(fluoren-9-one);methanol is CC.CC.CO.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;bis(fluoren-9-one);methanol?
The InChIKey is ZXWYHZMWFPXIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8O.2C2H6.2CH4O/c2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;4*1-2/h2*1-8H;2*1-2H3;2*2H,1H3.
What are the key properties of ethane;bis(fluoren-9-one);methanol?
ethane;bis(fluoren-9-one);methanol has a molecular weight of 484.64 g/mol, XLogP of 7.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(fluoren-9-one);methanol is sourced from PubChem (CID 162250310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).