1-decoxypropyl 4-hydroxybenzoate

C20H32O4 — CID 175044009

IUPAC1-decoxypropyl 4-hydroxybenzoate
SMILESCCCCCCCCCCOC(CC)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H32O4/c1-3-5-6-7-8-9-10-11-16-23-19(4-2)24-20(22)17-12-14-18(21)15-13-17/h12-15,19,21H,3-11,16H2,1-2H3
InChIKeyZYKCXDOZSHMGKX-UHFFFAOYSA-N
MW336.47 g/mol
LogP5.44
Rot. Bonds13

About 1-decoxypropyl 4-hydroxybenzoate

1-decoxypropyl 4-hydroxybenzoate (PubChem CID 175044009) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-decoxypropyl 4-hydroxybenzoate.

Molecular Properties

Compound Name1-decoxypropyl 4-hydroxybenzoate
PubChem CID175044009
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name1-decoxypropyl 4-hydroxybenzoate
SMILESCCCCCCCCCCOC(CC)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C20H32O4/c1-3-5-6-7-8-9-10-11-16-23-19(4-2)24-20(22)17-12-14-18(21)15-13-17/h12-15,19,21H,3-11,16H2,1-2H3
InChIKeyZYKCXDOZSHMGKX-UHFFFAOYSA-N
XLogP5.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butane;docosyl 4-hydroxybenzoate
CID 175271638
6-hexoxyhexan-2-yl 4-hydroxybenzoate
CID 160563411
1-pentoxypropan-2-yl 4-hydroxybenzoate
CID 14512064
1-(4-hydroxybenzoyl)oxyheptane-1-sulfonic acid
CID 175136277
[(3S)-nonan-3-yl] 4-(4-hydroxyphenyl)benzoate
CID 69223470
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
butan-2-yl 4-hydroxybenzoate;octadecanoic acid
CID 160512702
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
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butan-2-yl 4-hexoxybenzoate
CID 82186259

Frequently Asked Questions

What is the IUPAC name of 1-decoxypropyl 4-hydroxybenzoate?
The IUPAC name of 1-decoxypropyl 4-hydroxybenzoate (CID 175044009) is 1-decoxypropyl 4-hydroxybenzoate.
What is the SMILES notation for 1-decoxypropyl 4-hydroxybenzoate?
The canonical SMILES for 1-decoxypropyl 4-hydroxybenzoate is CCCCCCCCCCOC(CC)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-decoxypropyl 4-hydroxybenzoate?
The InChIKey is ZYKCXDOZSHMGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-3-5-6-7-8-9-10-11-16-23-19(4-2)24-20(22)17-12-14-18(21)15-13-17/h12-15,19,21H,3-11,16H2,1-2H3.
What are the key properties of 1-decoxypropyl 4-hydroxybenzoate?
1-decoxypropyl 4-hydroxybenzoate has a molecular weight of 336.47 g/mol, XLogP of 5.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxypropyl 4-hydroxybenzoate is sourced from PubChem (CID 175044009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).