9H-fluoren-9-ylmethyl 2-phenylacetate

C22H18O2 — CID 90913061

IUPAC9H-fluoren-9-ylmethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18O2/c23-22(14-16-8-2-1-3-9-16)24-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2
InChIKeyIXVUHMRRWAOQBQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.58
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 2-phenylacetate

9H-fluoren-9-ylmethyl 2-phenylacetate (PubChem CID 90913061) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-phenylacetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-phenylacetate
PubChem CID90913061
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name9H-fluoren-9-ylmethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18O2/c23-22(14-16-8-2-1-3-9-16)24-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2
InChIKeyIXVUHMRRWAOQBQ-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
CID 23573686
CID 23573686
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-formyloxyacetate
CID 54320738
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-(sulfanylmethyl)butanoic acid
CID 157199768

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-phenylacetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-phenylacetate (CID 90913061) is 9H-fluoren-9-ylmethyl 2-phenylacetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-phenylacetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-phenylacetate is O=C(Cc1ccccc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-phenylacetate?
The InChIKey is IXVUHMRRWAOQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-22(14-16-8-2-1-3-9-16)24-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21H,14-15H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-phenylacetate?
9H-fluoren-9-ylmethyl 2-phenylacetate has a molecular weight of 314.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-phenylacetate is sourced from PubChem (CID 90913061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).