1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one

C20H22O2 — CID 67497909

IUPAC1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
SMILESCCCCC(=O)C1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-3-4-13-19(21)20(14-22-2)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyPHSRBLFGVJMQQX-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.36
Rot. Bonds6

About 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one

1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one (PubChem CID 67497909) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one.

Molecular Properties

Compound Name1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
PubChem CID67497909
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one
SMILESCCCCC(=O)C1(COC)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-3-4-13-19(21)20(14-22-2)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyPHSRBLFGVJMQQX-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one?
The IUPAC name of 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one (CID 67497909) is 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one.
What is the SMILES notation for 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one?
The canonical SMILES for 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one is CCCCC(=O)C1(COC)c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one?
The InChIKey is PHSRBLFGVJMQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-4-13-19(21)20(14-22-2)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one?
1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(methoxymethyl)fluoren-9-yl]pentan-1-one is sourced from PubChem (CID 67497909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).