3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate

C19H18Cl2O4 — CID 23125966

IUPAC3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate
SMILESCCC(CCOC(=O)c1cccc(Cl)c1)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18Cl2O4/c1-2-17(25-19(23)14-6-4-8-16(21)12-14)9-10-24-18(22)13-5-3-7-15(20)11-13/h3-8,11-12,17H,2,9-10H2,1H3
InChIKeyIWMPLCFVPZFTKN-UHFFFAOYSA-N
MW381.25 g/mol
LogP5.18
Rot. Bonds7

About 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate

3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate (PubChem CID 23125966) has the molecular formula C19H18Cl2O4 and a molecular weight of 381.25 g/mol. Its IUPAC name is 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate.

Molecular Properties

Compound Name3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate
PubChem CID23125966
Molecular FormulaC19H18Cl2O4
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate
SMILESCCC(CCOC(=O)c1cccc(Cl)c1)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18Cl2O4/c1-2-17(25-19(23)14-6-4-8-16(21)12-14)9-10-24-18(22)13-5-3-7-15(20)11-13/h3-8,11-12,17H,2,9-10H2,1H3
InChIKeyIWMPLCFVPZFTKN-UHFFFAOYSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxyethyl 3-chlorobenzoate
CID 71145499
3-O-heptan-3-yl 1-O-tridecyl benzene-1,3-dicarboxylate
CID 91724730
3-O-hexan-3-yl 1-O-pentadecyl benzene-1,3-dicarboxylate
CID 91754013
3-O-heptan-3-yl 1-O-pentadecyl benzene-1,3-dicarboxylate
CID 91724744
2-(2-methylpropoxy)ethyl 3-chlorobenzoate
CID 71145273
octyl 3-chlorobenzoate
CID 527808
bis(6-ethyloctan-3-yl) benzene-1,3-dicarboxylate
CID 91741149
2-bromoethyl 3-chlorobenzoate
CID 21411127
2-(propylamino)ethyl 3-chlorobenzoate
CID 82532787
bis(3-methylpentyl) benzene-1,3-dicarboxylate
CID 67161864
2-(3-methylbutylamino)ethyl 3-chlorobenzoate
CID 82532030
propyl 3-(3-chlorobenzoyl)oxybenzoate
CID 17169663

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate?
The IUPAC name of 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate (CID 23125966) is 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate.
What is the SMILES notation for 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate?
The canonical SMILES for 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate is CCC(CCOC(=O)c1cccc(Cl)c1)OC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate?
The InChIKey is IWMPLCFVPZFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O4/c1-2-17(25-19(23)14-6-4-8-16(21)12-14)9-10-24-18(22)13-5-3-7-15(20)11-13/h3-8,11-12,17H,2,9-10H2,1H3.
What are the key properties of 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate?
3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate has a molecular weight of 381.25 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorobenzoyl)oxypentyl 3-chlorobenzoate is sourced from PubChem (CID 23125966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).