ethyl 4-(4aH-fluoren-9-yl)benzoate

C22H18O2 — CID 67613234

IUPACethyl 4-(4aH-fluoren-9-yl)benzoate
SMILESCCOC(=O)c1ccc(C2=C3C=CC=CC3c3ccccc32)cc1
InChIInChI=1S/C22H18O2/c1-2-24-22(23)16-13-11-15(12-14-16)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14,17H,2H2,1H3
InChIKeyCIRUCFKDNZGYOL-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.89
Rot. Bonds3

About ethyl 4-(4aH-fluoren-9-yl)benzoate

ethyl 4-(4aH-fluoren-9-yl)benzoate (PubChem CID 67613234) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 4-(4aH-fluoren-9-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(4aH-fluoren-9-yl)benzoate
PubChem CID67613234
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Nameethyl 4-(4aH-fluoren-9-yl)benzoate
SMILESCCOC(=O)c1ccc(C2=C3C=CC=CC3c3ccccc32)cc1
InChIInChI=1S/C22H18O2/c1-2-24-22(23)16-13-11-15(12-14-16)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14,17H,2H2,1H3
InChIKeyCIRUCFKDNZGYOL-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 4-(4aH-fluoren-9-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-phosphanylphenyl)benzoate
CID 22374006
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
ethyl benzoate;toluene
CID 23150750
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
CID 158970570
CID 158970570
ethyl 4-[5-(2-acetyloxyphenyl)pyrimidin-2-yl]benzoate
CID 139878694
ethyl 4-benzo[b][1,4]benzothiazepin-6-ylbenzoate
CID 58388790

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4aH-fluoren-9-yl)benzoate?
The IUPAC name of ethyl 4-(4aH-fluoren-9-yl)benzoate (CID 67613234) is ethyl 4-(4aH-fluoren-9-yl)benzoate.
What is the SMILES notation for ethyl 4-(4aH-fluoren-9-yl)benzoate?
The canonical SMILES for ethyl 4-(4aH-fluoren-9-yl)benzoate is CCOC(=O)c1ccc(C2=C3C=CC=CC3c3ccccc32)cc1.
What is the InChIKey of ethyl 4-(4aH-fluoren-9-yl)benzoate?
The InChIKey is CIRUCFKDNZGYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-2-24-22(23)16-13-11-15(12-14-16)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14,17H,2H2,1H3.
What are the key properties of ethyl 4-(4aH-fluoren-9-yl)benzoate?
ethyl 4-(4aH-fluoren-9-yl)benzoate has a molecular weight of 314.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4aH-fluoren-9-yl)benzoate is sourced from PubChem (CID 67613234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).