10-O-(2-fluorophenyl) 1-O-propyl decanedioate

C19H27FO4 — CID 91736313

IUPAC10-O-(2-fluorophenyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1F
InChIInChI=1S/C19H27FO4/c1-2-15-23-18(21)13-7-5-3-4-6-8-14-19(22)24-17-12-10-9-11-16(17)20/h9-12H,2-8,13-15H2,1H3
InChIKeyWWCDKGACYGRSLD-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.81
Rot. Bonds12

About 10-O-(2-fluorophenyl) 1-O-propyl decanedioate

10-O-(2-fluorophenyl) 1-O-propyl decanedioate (PubChem CID 91736313) has the molecular formula C19H27FO4 and a molecular weight of 338.42 g/mol. Its IUPAC name is 10-O-(2-fluorophenyl) 1-O-propyl decanedioate.

Molecular Properties

Compound Name10-O-(2-fluorophenyl) 1-O-propyl decanedioate
PubChem CID91736313
Molecular FormulaC19H27FO4
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name10-O-(2-fluorophenyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1F
InChIInChI=1S/C19H27FO4/c1-2-15-23-18(21)13-7-5-3-4-6-8-14-19(22)24-17-12-10-9-11-16(17)20/h9-12H,2-8,13-15H2,1H3
InChIKeyWWCDKGACYGRSLD-UHFFFAOYSA-N
XLogP4.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-O-(2-fluorophenyl) 1-O-nonyl hexanedioate
CID 91713613
1-O-butyl 5-O-(2-fluorophenyl) pentanedioate
CID 91709020
bis(2-fluorophenyl) hexanedioate
CID 91704928
10-O-(2-ethylphenyl) 1-O-propyl decanedioate
CID 91711670
5-O-(2-fluorophenyl) 1-O-(4-methylpentyl) pentanedioate
CID 91706802
1-O-(8-chlorooctyl) 4-O-(2-fluorophenyl) butanedioate
CID 91702085
5-O-(2-fluorophenyl) 1-O-(2-methylpentyl) pentanedioate
CID 91709010
5-O-(2-fluorophenyl) 1-O-(5-methoxy-3-methylpentyl) pentanedioate
CID 91705604
5-O-naphthalen-1-yl 1-O-propyl pentanedioate
CID 91708094
4-O-(2-fluorophenyl) 1-O-[(E)-hex-3-enyl] butanedioate
CID 91698114
1-O-(3,7-dimethyloctyl) 5-O-(2-fluorophenyl) pentanedioate
CID 91706584
(2-nonanoyloxyphenyl) undecanoate
CID 90023956

Frequently Asked Questions

What is the IUPAC name of 10-O-(2-fluorophenyl) 1-O-propyl decanedioate?
The IUPAC name of 10-O-(2-fluorophenyl) 1-O-propyl decanedioate (CID 91736313) is 10-O-(2-fluorophenyl) 1-O-propyl decanedioate.
What is the SMILES notation for 10-O-(2-fluorophenyl) 1-O-propyl decanedioate?
The canonical SMILES for 10-O-(2-fluorophenyl) 1-O-propyl decanedioate is CCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1F.
What is the InChIKey of 10-O-(2-fluorophenyl) 1-O-propyl decanedioate?
The InChIKey is WWCDKGACYGRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO4/c1-2-15-23-18(21)13-7-5-3-4-6-8-14-19(22)24-17-12-10-9-11-16(17)20/h9-12H,2-8,13-15H2,1H3.
What are the key properties of 10-O-(2-fluorophenyl) 1-O-propyl decanedioate?
10-O-(2-fluorophenyl) 1-O-propyl decanedioate has a molecular weight of 338.42 g/mol, XLogP of 4.81, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2-fluorophenyl) 1-O-propyl decanedioate is sourced from PubChem (CID 91736313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).