benzene;ethyl 9-propylidenefluorene-4-carboxylate

C25H24O2 — CID 174544790

IUPACbenzene;ethyl 9-propylidenefluorene-4-carboxylate
SMILESCCC=C1c2ccccc2-c2c(C(=O)OCC)cccc21.c1ccccc1
InChIInChI=1S/C19H18O2.C6H6/c1-3-8-13-14-9-5-6-10-15(14)18-16(13)11-7-12-17(18)19(20)21-4-2;1-2-4-6-5-3-1/h5-12H,3-4H2,1-2H3;1-6H
InChIKeyDCGQTKYBBWQQAI-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.37
Rot. Bonds3

About benzene;ethyl 9-propylidenefluorene-4-carboxylate

benzene;ethyl 9-propylidenefluorene-4-carboxylate (PubChem CID 174544790) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is benzene;ethyl 9-propylidenefluorene-4-carboxylate.

Molecular Properties

Compound Namebenzene;ethyl 9-propylidenefluorene-4-carboxylate
PubChem CID174544790
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Namebenzene;ethyl 9-propylidenefluorene-4-carboxylate
SMILESCCC=C1c2ccccc2-c2c(C(=O)OCC)cccc21.c1ccccc1
InChIInChI=1S/C19H18O2.C6H6/c1-3-8-13-14-9-5-6-10-15(14)18-16(13)11-7-12-17(18)19(20)21-4-2;1-2-4-6-5-3-1/h5-12H,3-4H2,1-2H3;1-6H
InChIKeyDCGQTKYBBWQQAI-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;ethyl 9-propylidenefluorene-4-carboxylate 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 2-(4-methylphenyl)benzoate
CID 10922668
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl (3Z)-3-butylidene-1-oxo-2-benzofuran-4-carboxylate
CID 102077669
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
3-(4-ethoxycarbonylphenyl)-2-methylbenzoic acid
CID 53227860
3-ethoxycarbonyl-2-(4-fluorophenyl)benzoic acid
CID 169449758
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 9-[[4-[2-(4-ethoxycarbonylfluoren-9-ylidene)hydrazinyl]-2,5-dimethyl-3,6-dimethylidenecyclohexa-1,4-dien-1-yl]hydrazinylidene]fluorene-4-carboxylate
CID 91418388
ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493198

Frequently Asked Questions

What is the IUPAC name of benzene;ethyl 9-propylidenefluorene-4-carboxylate?
The IUPAC name of benzene;ethyl 9-propylidenefluorene-4-carboxylate (CID 174544790) is benzene;ethyl 9-propylidenefluorene-4-carboxylate.
What is the SMILES notation for benzene;ethyl 9-propylidenefluorene-4-carboxylate?
The canonical SMILES for benzene;ethyl 9-propylidenefluorene-4-carboxylate is CCC=C1c2ccccc2-c2c(C(=O)OCC)cccc21.c1ccccc1.
What is the InChIKey of benzene;ethyl 9-propylidenefluorene-4-carboxylate?
The InChIKey is DCGQTKYBBWQQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2.C6H6/c1-3-8-13-14-9-5-6-10-15(14)18-16(13)11-7-12-17(18)19(20)21-4-2;1-2-4-6-5-3-1/h5-12H,3-4H2,1-2H3;1-6H.
What are the key properties of benzene;ethyl 9-propylidenefluorene-4-carboxylate?
benzene;ethyl 9-propylidenefluorene-4-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl 9-propylidenefluorene-4-carboxylate is sourced from PubChem (CID 174544790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).