4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate

C14H18O5 — CID 91730612

IUPAC4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C14H18O5/c1-3-8-18-13(15)11-4-6-12(7-5-11)14(16)19-10-9-17-2/h4-7H,3,8-10H2,1-2H3
InChIKeyYWVDOTJVCGNQMF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds7

About 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate

4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate (PubChem CID 91730612) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
PubChem CID91730612
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCOC)cc1
InChIInChI=1S/C14H18O5/c1-3-8-18-13(15)11-4-6-12(7-5-11)14(16)19-10-9-17-2/h4-7H,3,8-10H2,1-2H3
InChIKeyYWVDOTJVCGNQMF-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
potassium 4-propoxycarbonylphenolate
CID 23662516
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
2-methoxyethyl 4-decoxybenzoate
CID 54021370
azane;2-methoxyethyl benzoate
CID 174560204
propyl 4-butoxybenzoate
CID 43389566
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
propyl 4-[[(4-butoxycarbonylbenzoyl)amino]carbamoyl]benzoate
CID 21415827
ethane;propyl 4-propan-2-ylbenzoate
CID 164925093
4-O-(2-ethylbutyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730701

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate (CID 91730612) is 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate is CCCOC(=O)c1ccc(C(=O)OCCOC)cc1.
What is the InChIKey of 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate?
The InChIKey is YWVDOTJVCGNQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-8-18-13(15)11-4-6-12(7-5-11)14(16)19-10-9-17-2/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate?
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 91730612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).