propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate

C14H19ClO3 — CID 82553210

IUPACpropan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
SMILESCc1cc(OC(C)C)c(C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO3/c1-8(2)17-13-6-10(5)12(15)7-11(13)14(16)18-9(3)4/h6-9H,1-5H3
InChIKeyXUTQWZCGQXPCGY-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.00
Rot. Bonds4

About propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate

propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate (PubChem CID 82553210) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
PubChem CID82553210
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Namepropan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate
SMILESCc1cc(OC(C)C)c(C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C14H19ClO3/c1-8(2)17-13-6-10(5)12(15)7-11(13)14(16)18-9(3)4/h6-9H,1-5H3
InChIKeyXUTQWZCGQXPCGY-UHFFFAOYSA-N
XLogP4.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
propan-2-yl 2-chloro-4-fluoro-5-methylbenzoate
CID 22955956
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
propan-2-yl 4-chloro-6-methylpyridine-3-carboxylate
CID 68730324
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
(3-chloro-4-methylphenyl) 5-bromo-2-propan-2-yloxybenzoate
CID 23013215
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
CID 82553264
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
(E)-4-(4,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82553860

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate?
The IUPAC name of propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate (CID 82553210) is propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate.
What is the SMILES notation for propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate?
The canonical SMILES for propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate is Cc1cc(OC(C)C)c(C(=O)OC(C)C)cc1Cl.
What is the InChIKey of propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate?
The InChIKey is XUTQWZCGQXPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-8(2)17-13-6-10(5)12(15)7-11(13)14(16)18-9(3)4/h6-9H,1-5H3.
What are the key properties of propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate?
propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate has a molecular weight of 270.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-chloro-4-methyl-2-propan-2-yloxybenzoate is sourced from PubChem (CID 82553210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).