1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate

C18H19FO4 — CID 86904874

IUPAC1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OC(C)COc1cccc(F)c1
InChIInChI=1S/C18H19FO4/c1-13(11-22-16-8-5-7-15(19)10-16)23-18(20)17-9-4-3-6-14(17)12-21-2/h3-10,13H,11-12H2,1-2H3
InChIKeyIUBLSMGIDFSFSE-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.60
Rot. Bonds7

About 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate

1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate (PubChem CID 86904874) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate.

Molecular Properties

Compound Name1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate
PubChem CID86904874
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate
SMILESCOCc1ccccc1C(=O)OC(C)COc1cccc(F)c1
InChIInChI=1S/C18H19FO4/c1-13(11-22-16-8-5-7-15(19)10-16)23-18(20)17-9-4-3-6-14(17)12-21-2/h3-10,13H,11-12H2,1-2H3
InChIKeyIUBLSMGIDFSFSE-UHFFFAOYSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate
CID 86904877
2-O-(3-fluorophenyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91719768
1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
CID 86904818
1-phenoxypropan-2-yl benzoate
CID 59854364
1-[2-(3-fluorophenoxy)propyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111681525
1-(3-fluorophenoxy)propan-2-yl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetate
CID 86904893
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 100971737
methyl 4-fluoro-2-(methoxymethyl)benzoate
CID 21075354
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
2-[2-(2-ethylbenzoyl)oxypropoxy]propyl 2-ethylbenzoate
CID 23024581
1-(3-fluorophenoxy)propan-2-yl 4-imidazol-1-yl-3-nitrobenzoate
CID 86904879
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate?
The IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate (CID 86904874) is 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate.
What is the SMILES notation for 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate?
The canonical SMILES for 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate is COCc1ccccc1C(=O)OC(C)COc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate?
The InChIKey is IUBLSMGIDFSFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-13(11-22-16-8-5-7-15(19)10-16)23-18(20)17-9-4-3-6-14(17)12-21-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate?
1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate has a molecular weight of 318.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate is sourced from PubChem (CID 86904874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).