1-pentoxypropan-2-yl 4-hydroxybenzoate

C15H22O4 — CID 14512064

IUPAC1-pentoxypropan-2-yl 4-hydroxybenzoate
SMILESCCCCCOCC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22O4/c1-3-4-5-10-18-11-12(2)19-15(17)13-6-8-14(16)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyBRUVASRMCAMUPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.14
Rot. Bonds8

About 1-pentoxypropan-2-yl 4-hydroxybenzoate

1-pentoxypropan-2-yl 4-hydroxybenzoate (PubChem CID 14512064) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-pentoxypropan-2-yl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-pentoxypropan-2-yl 4-hydroxybenzoate
PubChem CID14512064
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-pentoxypropan-2-yl 4-hydroxybenzoate
SMILESCCCCCOCC(C)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H22O4/c1-3-4-5-10-18-11-12(2)19-15(17)13-6-8-14(16)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3
InChIKeyBRUVASRMCAMUPZ-UHFFFAOYSA-N
XLogP3.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxyhexan-2-yl 4-hydroxybenzoate
CID 160563411
1-heptoxypropan-2-yl 4-(4-hexylphenyl)benzoate
CID 67861077
[(2R)-1-butoxypropan-2-yl] 4-phenylmethoxybenzoate
CID 139696533
[4-[4-[(2S)-1-[(2S)-2-[4-[4-(4-octoxybenzoyl)oxybenzoyl]oxybenzoyl]oxypropoxy]propan-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-octoxybenzoate
CID 101210044
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
[4-[(2R)-1-propoxypropan-2-yl]oxycarbonylphenyl] 4-(4-dodecoxyphenyl)benzoate
CID 102468847
1-decoxypropyl 4-hydroxybenzoate
CID 175044009
butan-2-yl 4-hydroxybenzoate;octadecanoic acid
CID 160512702
bis[2-(4-hexoxybenzoyl)oxypropyl] benzene-1,4-dicarboxylate
CID 101497690
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
1-(2-methylsulfanylethoxy)propan-2-yl 4-(4-dodecoxyphenyl)benzoate
CID 102183320

Frequently Asked Questions

What is the IUPAC name of 1-pentoxypropan-2-yl 4-hydroxybenzoate?
The IUPAC name of 1-pentoxypropan-2-yl 4-hydroxybenzoate (CID 14512064) is 1-pentoxypropan-2-yl 4-hydroxybenzoate.
What is the SMILES notation for 1-pentoxypropan-2-yl 4-hydroxybenzoate?
The canonical SMILES for 1-pentoxypropan-2-yl 4-hydroxybenzoate is CCCCCOCC(C)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-pentoxypropan-2-yl 4-hydroxybenzoate?
The InChIKey is BRUVASRMCAMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-4-5-10-18-11-12(2)19-15(17)13-6-8-14(16)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3.
What are the key properties of 1-pentoxypropan-2-yl 4-hydroxybenzoate?
1-pentoxypropan-2-yl 4-hydroxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypropan-2-yl 4-hydroxybenzoate is sourced from PubChem (CID 14512064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).