5,6-dimethyl-2-phenylmethoxyfluoren-9-one

C22H18O2 — CID 82579583

IUPAC5,6-dimethyl-2-phenylmethoxyfluoren-9-one
SMILESCc1ccc2c(c1C)-c1ccc(OCc3ccccc3)cc1C2=O
InChIInChI=1S/C22H18O2/c1-14-8-10-19-21(15(14)2)18-11-9-17(12-20(18)22(19)23)24-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyONVXMOLTLZZXFT-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.09
Rot. Bonds3

About 5,6-dimethyl-2-phenylmethoxyfluoren-9-one

5,6-dimethyl-2-phenylmethoxyfluoren-9-one (PubChem CID 82579583) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenylmethoxyfluoren-9-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenylmethoxyfluoren-9-one
PubChem CID82579583
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name5,6-dimethyl-2-phenylmethoxyfluoren-9-one
SMILESCc1ccc2c(c1C)-c1ccc(OCc3ccccc3)cc1C2=O
InChIInChI=1S/C22H18O2/c1-14-8-10-19-21(15(14)2)18-11-9-17(12-20(18)22(19)23)24-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyONVXMOLTLZZXFT-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122389437
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenylmethoxyfluoren-9-one?
The IUPAC name of 5,6-dimethyl-2-phenylmethoxyfluoren-9-one (CID 82579583) is 5,6-dimethyl-2-phenylmethoxyfluoren-9-one.
What is the SMILES notation for 5,6-dimethyl-2-phenylmethoxyfluoren-9-one?
The canonical SMILES for 5,6-dimethyl-2-phenylmethoxyfluoren-9-one is Cc1ccc2c(c1C)-c1ccc(OCc3ccccc3)cc1C2=O.
What is the InChIKey of 5,6-dimethyl-2-phenylmethoxyfluoren-9-one?
The InChIKey is ONVXMOLTLZZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-14-8-10-19-21(15(14)2)18-11-9-17(12-20(18)22(19)23)24-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenylmethoxyfluoren-9-one?
5,6-dimethyl-2-phenylmethoxyfluoren-9-one has a molecular weight of 314.38 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenylmethoxyfluoren-9-one is sourced from PubChem (CID 82579583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).