propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate

C23H26O4 — CID 141442965

IUPACpropan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
SMILESCC(C)OC(=O)CC1(CC(=O)OC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O4/c1-15(2)26-21(24)13-23(14-22(25)27-16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3
InChIKeyROBHTXRADODZLN-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.64
Rot. Bonds6

About propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate

propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate (PubChem CID 141442965) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
PubChem CID141442965
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Namepropan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
SMILESCC(C)OC(=O)CC1(CC(=O)OC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O4/c1-15(2)26-21(24)13-23(14-22(25)27-16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3
InChIKeyROBHTXRADODZLN-UHFFFAOYSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate?
The IUPAC name of propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate (CID 141442965) is propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate?
The canonical SMILES for propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate is CC(C)OC(=O)CC1(CC(=O)OC(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate?
The InChIKey is ROBHTXRADODZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-15(2)26-21(24)13-23(14-22(25)27-16(3)4)19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate?
propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate has a molecular weight of 366.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate is sourced from PubChem (CID 141442965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).