propan-2-yl 4-pentanoyloxybenzoate

C15H20O4 — CID 91478566

IUPACpropan-2-yl 4-pentanoyloxybenzoate
SMILESCCCCC(=O)Oc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C15H20O4/c1-4-5-6-14(16)19-13-9-7-12(8-10-13)15(17)18-11(2)3/h7-11H,4-6H2,1-3H3
InChIKeyAZOHJSDEZFSPQQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.35
Rot. Bonds6

About propan-2-yl 4-pentanoyloxybenzoate

propan-2-yl 4-pentanoyloxybenzoate (PubChem CID 91478566) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is propan-2-yl 4-pentanoyloxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-pentanoyloxybenzoate
PubChem CID91478566
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namepropan-2-yl 4-pentanoyloxybenzoate
SMILESCCCCC(=O)Oc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C15H20O4/c1-4-5-6-14(16)19-13-9-7-12(8-10-13)15(17)18-11(2)3/h7-11H,4-6H2,1-3H3
InChIKeyAZOHJSDEZFSPQQ-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.35
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 4-(4-chlorobutanoyloxy)benzoate
CID 69126293
propan-2-yl 4-(5-chloropentanoyloxy)benzoate
CID 69126414
4-pentanoyloxybenzoic acid
CID 22756882
octan-2-yl 4-(4-undecanoyloxyphenyl)benzoate
CID 54277193
octan-2-yl 4-(4-octanoyloxyphenyl)benzoate
CID 54442503
bis[4-[4-[(2S)-octan-2-yl]oxycarbonylphenyl]phenyl] pentanedioate
CID 101349877
pentan-2-yl 4-(4-nonadecanoyloxyphenyl)benzoate
CID 54554284
octan-2-yl 4-(4-decanoyloxyphenyl)benzoate
CID 54556233
[4-(4-propan-2-yloxycarbonylphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101077333
bis[4-[4-(4-decan-2-yloxycarbonylphenyl)phenoxy]carbonylphenyl] dodecanedioate
CID 139709844
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(4-acetylphenyl) hexanoate
CID 12627444

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-pentanoyloxybenzoate?
The IUPAC name of propan-2-yl 4-pentanoyloxybenzoate (CID 91478566) is propan-2-yl 4-pentanoyloxybenzoate.
What is the SMILES notation for propan-2-yl 4-pentanoyloxybenzoate?
The canonical SMILES for propan-2-yl 4-pentanoyloxybenzoate is CCCCC(=O)Oc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-pentanoyloxybenzoate?
The InChIKey is AZOHJSDEZFSPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-6-14(16)19-13-9-7-12(8-10-13)15(17)18-11(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 4-pentanoyloxybenzoate?
propan-2-yl 4-pentanoyloxybenzoate has a molecular weight of 264.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-pentanoyloxybenzoate is sourced from PubChem (CID 91478566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).