1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate

C18H19FO5 — CID 86904877

IUPAC1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC(C)COc2cccc(F)c2)c1
InChIInChI=1S/C18H19FO5/c1-12(11-23-15-6-4-5-13(19)9-15)24-18(20)16-10-14(21-2)7-8-17(16)22-3/h4-10,12H,11H2,1-3H3
InChIKeyCQUWNSKGWZHLQE-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.47
Rot. Bonds7

About 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate

1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate (PubChem CID 86904877) has the molecular formula C18H19FO5 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate
PubChem CID86904877
Molecular FormulaC18H19FO5
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OC(C)COc2cccc(F)c2)c1
InChIInChI=1S/C18H19FO5/c1-12(11-23-15-6-4-5-13(19)9-15)24-18(20)16-10-14(21-2)7-8-17(16)22-3/h4-10,12H,11H2,1-3H3
InChIKeyCQUWNSKGWZHLQE-UHFFFAOYSA-N
XLogP3.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenoxy)propan-2-yl 2-(methoxymethyl)benzoate
CID 86904874
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
butan-2-yl 2,5-dimethoxybenzenecarboperoxoate
CID 173265640
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
1-(3-fluorophenoxy)propan-2-yl 3-thiophen-2-ylpropanoate
CID 86904818
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
CID 71987996
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7486928
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 55421267
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate?
The IUPAC name of 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate (CID 86904877) is 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate.
What is the SMILES notation for 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate?
The canonical SMILES for 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OC(C)COc2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate?
The InChIKey is CQUWNSKGWZHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO5/c1-12(11-23-15-6-4-5-13(19)9-15)24-18(20)16-10-14(21-2)7-8-17(16)22-3/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate?
1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate has a molecular weight of 334.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenoxy)propan-2-yl 2,5-dimethoxybenzoate is sourced from PubChem (CID 86904877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).