4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate

C19H19FO4 — CID 91735547

IUPAC4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
SMILESCCCc1ccccc1OC(=O)CCC(=O)Oc1ccccc1F
InChIInChI=1S/C19H19FO4/c1-2-7-14-8-3-5-10-16(14)23-18(21)12-13-19(22)24-17-11-6-4-9-15(17)20/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyULZOTMMSWWGIAU-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.07
Rot. Bonds7

About 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate

4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate (PubChem CID 91735547) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate.

Molecular Properties

Compound Name4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
PubChem CID91735547
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
SMILESCCCc1ccccc1OC(=O)CCC(=O)Oc1ccccc1F
InChIInChI=1S/C19H19FO4/c1-2-7-14-8-3-5-10-16(14)23-18(21)12-13-19(22)24-17-11-6-4-9-15(17)20/h3-6,8-11H,2,7,12-13H2,1H3
InChIKeyULZOTMMSWWGIAU-UHFFFAOYSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-propylphenyl) carbonate
CID 66781525
bis(2-fluorophenyl) hexanedioate
CID 91704928
1-O-butyl 5-O-(2-propylphenyl) pentanedioate
CID 91708640
1-O-(2-propylphenyl) 5-O-(1,1,1-trifluoropropan-2-yl) pentanedioate
CID 91734339
(2-butylphenyl) heptanoate
CID 174752074
4-O-(2,3-dimethylphenyl) 1-O-(2-fluorophenyl) butanedioate
CID 91733507
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
10-O-(2-fluorophenyl) 1-O-propyl decanedioate
CID 91736313
1-O-(2-fluorophenyl) 4-O-(2-methylpentan-3-yl) butanedioate
CID 91731978
1-O-butyl 5-O-(2-fluorophenyl) pentanedioate
CID 91709020
5-O-(2-propylphenyl) 1-O-tridecyl pentanedioate
CID 91707946
10-O-(2-propylphenyl) 1-O-undecyl decanedioate
CID 91715656

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate?
The IUPAC name of 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate (CID 91735547) is 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate.
What is the SMILES notation for 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate?
The canonical SMILES for 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate is CCCc1ccccc1OC(=O)CCC(=O)Oc1ccccc1F.
What is the InChIKey of 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate?
The InChIKey is ULZOTMMSWWGIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-2-7-14-8-3-5-10-16(14)23-18(21)12-13-19(22)24-17-11-6-4-9-15(17)20/h3-6,8-11H,2,7,12-13H2,1H3.
What are the key properties of 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate?
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate has a molecular weight of 330.36 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate is sourced from PubChem (CID 91735547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).