(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate

C17H18FNO4 — CID 167764210

IUPAC(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
SMILESCCCOc1ccc(COC(=O)c2ncccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-3-9-22-14-7-6-12(10-15(14)21-2)11-23-17(20)16-13(18)5-4-8-19-16/h4-8,10H,3,9,11H2,1-2H3
InChIKeyRWUANCCVRVDRTL-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.38
Rot. Bonds7

About (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate

(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate (PubChem CID 167764210) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
PubChem CID167764210
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
SMILESCCCOc1ccc(COC(=O)c2ncccc2F)cc1OC
InChIInChI=1S/C17H18FNO4/c1-3-9-22-14-7-6-12(10-15(14)21-2)11-23-17(20)16-13(18)5-4-8-19-16/h4-8,10H,3,9,11H2,1-2H3
InChIKeyRWUANCCVRVDRTL-UHFFFAOYSA-N
XLogP3.38
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
CID 78791179
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78840809
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
CID 78837074
bis[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanone
CID 54160091
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 2220291
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate?
The IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate (CID 167764210) is (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate.
What is the SMILES notation for (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate?
The canonical SMILES for (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate is CCCOc1ccc(COC(=O)c2ncccc2F)cc1OC.
What is the InChIKey of (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate?
The InChIKey is RWUANCCVRVDRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-3-9-22-14-7-6-12(10-15(14)21-2)11-23-17(20)16-13(18)5-4-8-19-16/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate?
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate has a molecular weight of 319.33 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 167764210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).