(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate

C23H18O4 — CID 89246029

IUPAC(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
SMILESCC(=O)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H18O4/c1-15(24)16-10-12-17(13-11-16)27-23(25)26-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14H2,1H3
InChIKeyILMJTXUSXIUCPH-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.22
Rot. Bonds4

About (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate

(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate (PubChem CID 89246029) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
PubChem CID89246029
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
SMILESCC(=O)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H18O4/c1-15(24)16-10-12-17(13-11-16)27-23(25)26-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14H2,1H3
InChIKeyILMJTXUSXIUCPH-UHFFFAOYSA-N
XLogP5.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
CID 139714070
9H-fluoren-9-ylmethyl N-[5-(4-acetylphenoxy)pentyl]carbamate
CID 90136782
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
CID 11494624
9H-fluoren-9-ylmethyl [4-[1-[4-[2-(2-hydroxyethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] carbonate
CID 72510660
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
CID 101132857
9H-fluoren-9-ylmethyl 3-[(4-acetylphenyl)-bromomethylidene]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59980780
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate (CID 89246029) is (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate is CC(=O)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is ILMJTXUSXIUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c1-15(24)16-10-12-17(13-11-16)27-23(25)26-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14H2,1H3.
What are the key properties of (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate?
(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 358.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 89246029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).