9H-fluoren-9-ylmethyl acetate

C16H14O2 — CID 540179

IUPAC9H-fluoren-9-ylmethyl acetate
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10H2,1H3
InChIKeyPJSNQCAWMYREAY-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.36
Rot. Bonds2

About 9H-fluoren-9-ylmethyl acetate

9H-fluoren-9-ylmethyl acetate (PubChem CID 540179) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl acetate
PubChem CID540179
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name9H-fluoren-9-ylmethyl acetate
SMILESCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10H2,1H3
InChIKeyPJSNQCAWMYREAY-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneethanol, beta-methyl-, 1-acetate
CID 25239
9-Fluorenylmethyl chloroformate
CID 34367
9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
9,9-Fluorenedipropionic acid, diethyl ester
CID 33767
methyl 9H-fluorene-9-carboxylate
CID 232396
Benzeneethanol, alpha-phenyl-, acetate
CID 90447
1-(9-Fluorenyl)ethyl chloroformate
CID 115102
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
9-Fluorenylmethyl carbamate
CID 736301
1-Indancarboxylic acid, 5-cyclohexyl-, methyl ester, (+-)-
CID 119850
1-Indancarboxylic acid, 5-cyclohexyl-, ethyl ester, (+-)-
CID 119870
2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate
CID 4686311

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl acetate (CID 540179) is 9H-fluoren-9-ylmethyl acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl acetate is CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl acetate?
The InChIKey is PJSNQCAWMYREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-11(17)18-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl acetate?
9H-fluoren-9-ylmethyl acetate has a molecular weight of 238.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl acetate is sourced from PubChem (CID 540179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).