2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate

C24H21FO5 — CID 70566524

IUPAC2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate
SMILESCc1cccc(OCCOC(=O)C(C)Oc2ccc3c(c2)oc2cc(F)ccc23)c1
InChIInChI=1S/C24H21FO5/c1-15-4-3-5-18(12-15)27-10-11-28-24(26)16(2)29-19-7-9-21-20-8-6-17(25)13-22(20)30-23(21)14-19/h3-9,12-14,16H,10-11H2,1-2H3
InChIKeyBNTGCURHABPIFL-UHFFFAOYSA-N
MW408.43 g/mol
LogP5.42
Rot. Bonds7

About 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate

2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate (PubChem CID 70566524) has the molecular formula C24H21FO5 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate
PubChem CID70566524
Molecular FormulaC24H21FO5
Molecular Weight408.43 g/mol
Exact Mass408.14
IUPAC Name2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate
SMILESCc1cccc(OCCOC(=O)C(C)Oc2ccc3c(c2)oc2cc(F)ccc23)c1
InChIInChI=1S/C24H21FO5/c1-15-4-3-5-18(12-15)27-10-11-28-24(26)16(2)29-19-7-9-21-20-8-6-17(25)13-22(20)30-23(21)14-19/h3-9,12-14,16H,10-11H2,1-2H3
InChIKeyBNTGCURHABPIFL-UHFFFAOYSA-N
XLogP5.42
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 55.42
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

(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2S)-2-(4-fluorophenoxy)-N'-[3-(3-methylphenoxy)propanoyl]propanehydrazide
CID 7964944
(2-oxochromen-7-yl) (2S)-2-(3-methylphenoxy)propanoate
CID 7920894
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
2-(3-methylphenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662514
2-(4-fluorophenoxy)ethyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7977972
2-(4-fluorophenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885455
(2R)-2-[3-[2-(4-fluorophenoxy)ethyl]phenoxy]propanamide
CID 97132336
2-(4-chlorophenyl)sulfanylethyl 2-(7-chlorodibenzofuran-3-yl)oxypropanoate
CID 70565985
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846660
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737879

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate (CID 70566524) is 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate is Cc1cccc(OCCOC(=O)C(C)Oc2ccc3c(c2)oc2cc(F)ccc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate?
The InChIKey is BNTGCURHABPIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO5/c1-15-4-3-5-18(12-15)27-10-11-28-24(26)16(2)29-19-7-9-21-20-8-6-17(25)13-22(20)30-23(21)14-19/h3-9,12-14,16H,10-11H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate?
2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate has a molecular weight of 408.43 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-(7-fluorodibenzofuran-3-yl)oxypropanoate is sourced from PubChem (CID 70566524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).