propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate

C17H17ClO3 — CID 82186223

IUPACpropan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-12(2)21-17(19)14-5-9-16(10-6-14)20-11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3
InChIKeyJTIIVIBLZSMWEC-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.48
Rot. Bonds5

About propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate

propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 82186223) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
PubChem CID82186223
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Namepropan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3/c1-12(2)21-17(19)14-5-9-16(10-6-14)20-11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3
InChIKeyJTIIVIBLZSMWEC-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186264
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
prop-2-ynyl 4-[(4-chlorophenyl)methoxy]benzoate
CID 13176547
propan-2-yl 4-ethylbenzoate
CID 583760
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
propan-2-yl 4-[[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856978
[(2R)-octan-2-yl] 4-[[4-[[4-[(2R)-octan-2-yl]oxycarbonylphenyl]methoxy]phenoxy]methyl]benzoate
CID 139602078
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
propan-2-yl 4-(3-chloropropyl)benzoate
CID 133056117
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate (CID 82186223) is propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate is CC(C)OC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is JTIIVIBLZSMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12(2)21-17(19)14-5-9-16(10-6-14)20-11-13-3-7-15(18)8-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate?
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 304.77 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 82186223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).