(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate

C18H19FO4 — CID 78837283

IUPAC(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
SMILESCCCOc1ccc(COC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FO4/c1-3-10-22-16-9-8-13(11-17(16)21-2)12-23-18(20)14-6-4-5-7-15(14)19/h4-9,11H,3,10,12H2,1-2H3
InChIKeyBQJRNEZGXKXQIE-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.98
Rot. Bonds7

About (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate

(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate (PubChem CID 78837283) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
PubChem CID78837283
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
SMILESCCCOc1ccc(COC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H19FO4/c1-3-10-22-16-9-8-13(11-17(16)21-2)12-23-18(20)14-6-4-5-7-15(14)19/h4-9,11H,3,10,12H2,1-2H3
InChIKeyBQJRNEZGXKXQIE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
CID 78791179
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
CID 78837074
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78840809
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(4-formyl-2-methoxyphenyl) 2-propoxybenzoate
CID 23013443
(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738777

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate?
The IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate (CID 78837283) is (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate.
What is the SMILES notation for (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate?
The canonical SMILES for (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate is CCCOc1ccc(COC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate?
The InChIKey is BQJRNEZGXKXQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-3-10-22-16-9-8-13(11-17(16)21-2)12-23-18(20)14-6-4-5-7-15(14)19/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate?
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate has a molecular weight of 318.34 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate is sourced from PubChem (CID 78837283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).