(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate

C17H14Cl2O4 — CID 17160934

IUPAC(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H14Cl2O4/c1-10(2)22-16(20)11-3-5-15(6-4-11)23-17(21)12-7-13(18)9-14(19)8-12/h3-10H,1-2H3
InChIKeyGZIXQWXRJIZEMC-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.78
Rot. Bonds4

About (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate

(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate (PubChem CID 17160934) has the molecular formula C17H14Cl2O4 and a molecular weight of 353.20 g/mol. Its IUPAC name is (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate.

Molecular Properties

Compound Name(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
PubChem CID17160934
Molecular FormulaC17H14Cl2O4
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC Name(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H14Cl2O4/c1-10(2)22-16(20)11-3-5-15(6-4-11)23-17(21)12-7-13(18)9-14(19)8-12/h3-10H,1-2H3
InChIKeyGZIXQWXRJIZEMC-UHFFFAOYSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3,5-dichlorobenzoate
CID 60642653
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
4-(3,5-dichlorobenzoyl)oxybenzoic acid
CID 54854175
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
CID 17162418
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724269
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17160841
[4-(4-propan-2-yloxycarbonylphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101077333

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate?
The IUPAC name of (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate (CID 17160934) is (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate.
What is the SMILES notation for (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate?
The canonical SMILES for (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate is CC(C)OC(=O)c1ccc(OC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate?
The InChIKey is GZIXQWXRJIZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O4/c1-10(2)22-16(20)11-3-5-15(6-4-11)23-17(21)12-7-13(18)9-14(19)8-12/h3-10H,1-2H3.
What are the key properties of (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate?
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate has a molecular weight of 353.20 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate is sourced from PubChem (CID 17160934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).