(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate

C18H20O6 — CID 71428362

IUPAC(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCOCCO)cc2)cc1
InChIInChI=1S/C18H20O6/c1-21-15-6-8-17(9-7-15)24-18(20)14-2-4-16(5-3-14)23-13-12-22-11-10-19/h2-9,19H,10-13H2,1H3
InChIKeyXYQGXRIUCQJRJA-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.30
Rot. Bonds9

About (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate

(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate (PubChem CID 71428362) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
PubChem CID71428362
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCOCCO)cc2)cc1
InChIInChI=1S/C18H20O6/c1-21-15-6-8-17(9-7-15)24-18(20)14-2-4-16(5-3-14)23-13-12-22-11-10-19/h2-9,19H,10-13H2,1H3
InChIKeyXYQGXRIUCQJRJA-UHFFFAOYSA-N
XLogP2.30
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 20789540
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
CID 100957753
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
[4-[4-[4-(6-hydroxyhexoxy)benzoyl]oxyphenoxy]carbonylphenyl] 4-(6-hydroxyhexoxy)benzoate
CID 164936549

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate (CID 71428362) is (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate is COc1ccc(OC(=O)c2ccc(OCCOCCO)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate?
The InChIKey is XYQGXRIUCQJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-15-6-8-17(9-7-15)24-18(20)14-2-4-16(5-3-14)23-13-12-22-11-10-19/h2-9,19H,10-13H2,1H3.
What are the key properties of (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate?
(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate has a molecular weight of 332.35 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate is sourced from PubChem (CID 71428362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).