ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate

C26H23ClO4 — CID 18626569

IUPACethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)OCC(C2c3ccccc3-c3ccccc32)CO1
InChIInChI=1S/C26H23ClO4/c1-2-29-25(28)26(18-11-13-19(27)14-12-18)30-15-17(16-31-26)24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,17,24H,2,15-16H2,1H3
InChIKeyLMLHLDJDOUFZDT-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.53
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate

ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate (PubChem CID 18626569) has the molecular formula C26H23ClO4 and a molecular weight of 434.92 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate
PubChem CID18626569
Molecular FormulaC26H23ClO4
Molecular Weight434.92 g/mol
Exact Mass434.13
IUPAC Nameethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate
SMILESCCOC(=O)C1(c2ccc(Cl)cc2)OCC(C2c3ccccc3-c3ccccc32)CO1
InChIInChI=1S/C26H23ClO4/c1-2-29-25(28)26(18-11-13-19(27)14-12-18)30-15-17(16-31-26)24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,17,24H,2,15-16H2,1H3
InChIKeyLMLHLDJDOUFZDT-UHFFFAOYSA-N
XLogP5.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylic acid;ethyl 2-(4-methoxyphenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylate;2-(4-methoxyphenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylic acid
CID 159415950
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
CID 14556276
ethyl 2-[4-chloro-3-[3-(trifluoromethyl)phenyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3-dioxane-2-carboxylate
CID 18626577
diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
7-O-ethyl 9-O-(9H-fluoren-9-ylmethyl) 7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
CID 171936399
ethyl (1S,3R,9bS)-1-(4-chlorophenyl)-3-hydroxy-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindole-9b-carboxylate
CID 122386018
ethyl (4R)-4-[5-(2-chlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1401367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate (CID 18626569) is ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate is CCOC(=O)C1(c2ccc(Cl)cc2)OCC(C2c3ccccc3-c3ccccc32)CO1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate?
The InChIKey is LMLHLDJDOUFZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClO4/c1-2-29-25(28)26(18-11-13-19(27)14-12-18)30-15-17(16-31-26)24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,17,24H,2,15-16H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate?
ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate has a molecular weight of 434.92 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate is sourced from PubChem (CID 18626569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).