(9-acetyl-9H-fluoren-3-yl)methyl acetate

C18H16O3 — CID 143174369

IUPAC(9-acetyl-9H-fluoren-3-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)-c1ccccc1C2C(C)=O
InChIInChI=1S/C18H16O3/c1-11(19)18-15-6-4-3-5-14(15)17-9-13(7-8-16(17)18)10-21-12(2)20/h3-9,18H,10H2,1-2H3
InChIKeySVFQRFHLNWCGEP-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.45
Rot. Bonds3

About (9-acetyl-9H-fluoren-3-yl)methyl acetate

(9-acetyl-9H-fluoren-3-yl)methyl acetate (PubChem CID 143174369) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (9-acetyl-9H-fluoren-3-yl)methyl acetate.

Molecular Properties

Compound Name(9-acetyl-9H-fluoren-3-yl)methyl acetate
PubChem CID143174369
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(9-acetyl-9H-fluoren-3-yl)methyl acetate
SMILESCC(=O)OCc1ccc2c(c1)-c1ccccc1C2C(C)=O
InChIInChI=1S/C18H16O3/c1-11(19)18-15-6-4-3-5-14(15)17-9-13(7-8-16(17)18)10-21-12(2)20/h3-9,18H,10H2,1-2H3
InChIKeySVFQRFHLNWCGEP-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
benzyl acetate
CID 8785
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
(3-bromo-9-hydroxy-9H-fluoren-1-yl)methyl acetate
CID 15661438
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
benzyl acetate;carbamic acid
CID 159542161
benzyl acetate;molecular nitrogen
CID 174861862
(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)methyl acetate
CID 123620934
benzyl acetate;formonitrile
CID 175329925
methyl 3-(acetyloxymethyl)biphenylene-2-carboxylate
CID 610255
[3-(acetyloxymethyl)phenyl]methyl 2-ethylbutanoate
CID 170293826

Frequently Asked Questions

What is the IUPAC name of (9-acetyl-9H-fluoren-3-yl)methyl acetate?
The IUPAC name of (9-acetyl-9H-fluoren-3-yl)methyl acetate (CID 143174369) is (9-acetyl-9H-fluoren-3-yl)methyl acetate.
What is the SMILES notation for (9-acetyl-9H-fluoren-3-yl)methyl acetate?
The canonical SMILES for (9-acetyl-9H-fluoren-3-yl)methyl acetate is CC(=O)OCc1ccc2c(c1)-c1ccccc1C2C(C)=O.
What is the InChIKey of (9-acetyl-9H-fluoren-3-yl)methyl acetate?
The InChIKey is SVFQRFHLNWCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(19)18-15-6-4-3-5-14(15)17-9-13(7-8-16(17)18)10-21-12(2)20/h3-9,18H,10H2,1-2H3.
What are the key properties of (9-acetyl-9H-fluoren-3-yl)methyl acetate?
(9-acetyl-9H-fluoren-3-yl)methyl acetate has a molecular weight of 280.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-acetyl-9H-fluoren-3-yl)methyl acetate is sourced from PubChem (CID 143174369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).