[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate

C17H10Cl2O5 — CID 70447003

IUPAC[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
SMILESCOC(=O)OC1=Cc2cc(C(=O)c3ccc(Cl)c(Cl)c3)c(O)cc21
InChIInChI=1S/C17H10Cl2O5/c1-23-17(22)24-15-6-9-4-11(14(20)7-10(9)15)16(21)8-2-3-12(18)13(19)5-8/h2-7,20H,1H3
InChIKeyPTSHFDVXAUXRRG-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.52
Rot. Bonds3

About [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate

[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate (PubChem CID 70447003) has the molecular formula C17H10Cl2O5 and a molecular weight of 365.17 g/mol. Its IUPAC name is [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate.

Molecular Properties

Compound Name[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
PubChem CID70447003
Molecular FormulaC17H10Cl2O5
Molecular Weight365.17 g/mol
Exact Mass363.99
IUPAC Name[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
SMILESCOC(=O)OC1=Cc2cc(C(=O)c3ccc(Cl)c(Cl)c3)c(O)cc21
InChIInChI=1S/C17H10Cl2O5/c1-23-17(22)24-15-6-9-4-11(14(20)7-10(9)15)16(21)8-2-3-12(18)13(19)5-8/h2-7,20H,1H3
InChIKeyPTSHFDVXAUXRRG-UHFFFAOYSA-N
XLogP4.52
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate with MolForge

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Related Compounds

[3-(3-chlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
CID 70446593
[3-(2-chlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate
CID 70447463
[4-hydroxy-3-(4-methoxybenzoyl)-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] hydrogen carbonate
CID 70447439
(4-hydroxy-7-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl) methyl carbonate
CID 70447010
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
methyl 2-amino-3-(3,4-dichlorophenyl)-3-oxopropanoate
CID 68768648

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate?
The IUPAC name of [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate (CID 70447003) is [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate.
What is the SMILES notation for [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate?
The canonical SMILES for [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate is COC(=O)OC1=Cc2cc(C(=O)c3ccc(Cl)c(Cl)c3)c(O)cc21.
What is the InChIKey of [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate?
The InChIKey is PTSHFDVXAUXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O5/c1-23-17(22)24-15-6-9-4-11(14(20)7-10(9)15)16(21)8-2-3-12(18)13(19)5-8/h2-7,20H,1H3.
What are the key properties of [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate?
[3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate has a molecular weight of 365.17 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorobenzoyl)-4-hydroxy-7-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl] methyl carbonate is sourced from PubChem (CID 70447003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).