propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate

C13H16Cl2O3 — CID 82552200

IUPACpropan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
SMILESCC(C)OC(=O)c1cc(Cl)cc(Cl)c1OC(C)C
InChIInChI=1S/C13H16Cl2O3/c1-7(2)17-12-10(13(16)18-8(3)4)5-9(14)6-11(12)15/h5-8H,1-4H3
InChIKeyFTZPFVMHNHUQPN-UHFFFAOYSA-N
MW291.17 g/mol
LogP4.35
Rot. Bonds4

About propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate

propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate (PubChem CID 82552200) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
PubChem CID82552200
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Namepropan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
SMILESCC(C)OC(=O)c1cc(Cl)cc(Cl)c1OC(C)C
InChIInChI=1S/C13H16Cl2O3/c1-7(2)17-12-10(13(16)18-8(3)4)5-9(14)6-11(12)15/h5-8H,1-4H3
InChIKeyFTZPFVMHNHUQPN-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82267062
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3,5-dichloro-2-propan-2-yloxyphenol
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propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
CID 82553210
propan-2-yl 3,5-dichlorobenzoate
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1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
propan-2-yl 2-chloro-5-fluorobenzoate
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propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate?
The IUPAC name of propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate (CID 82552200) is propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate.
What is the SMILES notation for propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate?
The canonical SMILES for propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate is CC(C)OC(=O)c1cc(Cl)cc(Cl)c1OC(C)C.
What is the InChIKey of propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate?
The InChIKey is FTZPFVMHNHUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-7(2)17-12-10(13(16)18-8(3)4)5-9(14)6-11(12)15/h5-8H,1-4H3.
What are the key properties of propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate?
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate has a molecular weight of 291.17 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate is sourced from PubChem (CID 82552200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).