4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one

C20H22O4 — CID 11141969

IUPAC4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one
SMILESCCCOc1cc(OC)c2c(c1)C(=O)c1cccc(OC(C)C)c1-2
InChIInChI=1S/C20H22O4/c1-5-9-23-13-10-15-19(17(11-13)22-4)18-14(20(15)21)7-6-8-16(18)24-12(2)3/h6-8,10-12H,5,9H2,1-4H3
InChIKeyNKFBIHCZXVBOPD-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.48
Rot. Bonds6

About 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one

4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one (PubChem CID 11141969) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one.

Molecular Properties

Compound Name4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one
PubChem CID11141969
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one
SMILESCCCOc1cc(OC)c2c(c1)C(=O)c1cccc(OC(C)C)c1-2
InChIInChI=1S/C20H22O4/c1-5-9-23-13-10-15-19(17(11-13)22-4)18-14(20(15)21)7-6-8-16(18)24-12(2)3/h6-8,10-12H,5,9H2,1-4H3
InChIKeyNKFBIHCZXVBOPD-UHFFFAOYSA-N
XLogP4.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one?
The IUPAC name of 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one (CID 11141969) is 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one.
What is the SMILES notation for 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one?
The canonical SMILES for 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one is CCCOc1cc(OC)c2c(c1)C(=O)c1cccc(OC(C)C)c1-2.
What is the InChIKey of 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one?
The InChIKey is NKFBIHCZXVBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-5-9-23-13-10-15-19(17(11-13)22-4)18-14(20(15)21)7-6-8-16(18)24-12(2)3/h6-8,10-12H,5,9H2,1-4H3.
What are the key properties of 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one?
4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one has a molecular weight of 326.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-propan-2-yloxy-2-propoxyfluoren-9-one is sourced from PubChem (CID 11141969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).