(4-hydroxyphenyl) 4-propoxybenzoate

C16H16O4 — CID 22925850

IUPAC(4-hydroxyphenyl) 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c1-2-11-19-14-7-3-12(4-8-14)16(18)20-15-9-5-13(17)6-10-15/h3-10,17H,2,11H2,1H3
InChIKeyDDRKMMLTGAVWAI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.40
Rot. Bonds5

About (4-hydroxyphenyl) 4-propoxybenzoate

(4-hydroxyphenyl) 4-propoxybenzoate (PubChem CID 22925850) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4-hydroxyphenyl) 4-propoxybenzoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 4-propoxybenzoate
PubChem CID22925850
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(4-hydroxyphenyl) 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16O4/c1-2-11-19-14-7-3-12(4-8-14)16(18)20-15-9-5-13(17)6-10-15/h3-10,17H,2,11H2,1H3
InChIKeyDDRKMMLTGAVWAI-UHFFFAOYSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515
[4-(4-propoxyphenoxy)carbonylphenyl] 4-octoxybenzoate
CID 101111531
(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
CID 57144136
(4-butoxyphenyl) 4-undecoxybenzoate
CID 21079902
(4-decoxyphenyl) 4-[7-[4-(4-decoxyphenoxy)carbonylphenoxy]heptoxy]benzoate
CID 102342037
[4-(4-undecoxybenzoyl)oxyphenyl] 4-undecoxybenzoate
CID 101367520
(4-heptoxyphenyl) 4-heptoxybenzoate
CID 71365288
[4-(4-octoxybenzoyl)oxyphenyl] 4-pentoxybenzoate
CID 100939275
(4-pentoxyphenyl) 4-hexoxybenzoate
CID 86218202
(4-hexoxyphenyl) 4-nonoxybenzoate
CID 14993431
(4-propoxyphenyl) 4-[3-[hydroxy(dimethyl)silyl]propoxy]benzoate
CID 54221559
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 4-propoxybenzoate?
The IUPAC name of (4-hydroxyphenyl) 4-propoxybenzoate (CID 22925850) is (4-hydroxyphenyl) 4-propoxybenzoate.
What is the SMILES notation for (4-hydroxyphenyl) 4-propoxybenzoate?
The canonical SMILES for (4-hydroxyphenyl) 4-propoxybenzoate is CCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1.
What is the InChIKey of (4-hydroxyphenyl) 4-propoxybenzoate?
The InChIKey is DDRKMMLTGAVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-11-19-14-7-3-12(4-8-14)16(18)20-15-9-5-13(17)6-10-15/h3-10,17H,2,11H2,1H3.
What are the key properties of (4-hydroxyphenyl) 4-propoxybenzoate?
(4-hydroxyphenyl) 4-propoxybenzoate has a molecular weight of 272.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 4-propoxybenzoate is sourced from PubChem (CID 22925850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).