methyl 4-(2-fluoroethoxy)-3-methoxybenzoate

C11H13FO4 — CID 90061966

IUPACmethyl 4-(2-fluoroethoxy)-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCCF)c(OC)c1
InChIInChI=1S/C11H13FO4/c1-14-10-7-8(11(13)15-2)3-4-9(10)16-6-5-12/h3-4,7H,5-6H2,1-2H3
InChIKeyPBTOCACHANHRQB-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.83
Rot. Bonds5

About methyl 4-(2-fluoroethoxy)-3-methoxybenzoate

methyl 4-(2-fluoroethoxy)-3-methoxybenzoate (PubChem CID 90061966) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 4-(2-fluoroethoxy)-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-fluoroethoxy)-3-methoxybenzoate
PubChem CID90061966
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 4-(2-fluoroethoxy)-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCCF)c(OC)c1
InChIInChI=1S/C11H13FO4/c1-14-10-7-8(11(13)15-2)3-4-9(10)16-6-5-12/h3-4,7H,5-6H2,1-2H3
InChIKeyPBTOCACHANHRQB-UHFFFAOYSA-N
XLogP1.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-(4-ethoxy-4-oxobutoxy)-3-methoxybenzoate
CID 164672797
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
ethane;methyl 4-(cyanomethoxy)-3-methoxybenzoate
CID 144796187
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
methyl 4-[2-(3-bromophenoxy)ethoxy]-3-methoxybenzoate
CID 7694604
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
carbon dioxide;methyl 4-[3-(2-methoxy-4-methylphenoxy)propoxy]-3-methylbenzoate
CID 123232367
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoroethoxy)-3-methoxybenzoate?
The IUPAC name of methyl 4-(2-fluoroethoxy)-3-methoxybenzoate (CID 90061966) is methyl 4-(2-fluoroethoxy)-3-methoxybenzoate.
What is the SMILES notation for methyl 4-(2-fluoroethoxy)-3-methoxybenzoate?
The canonical SMILES for methyl 4-(2-fluoroethoxy)-3-methoxybenzoate is COC(=O)c1ccc(OCCF)c(OC)c1.
What is the InChIKey of methyl 4-(2-fluoroethoxy)-3-methoxybenzoate?
The InChIKey is PBTOCACHANHRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-14-10-7-8(11(13)15-2)3-4-9(10)16-6-5-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 4-(2-fluoroethoxy)-3-methoxybenzoate?
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate has a molecular weight of 228.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoroethoxy)-3-methoxybenzoate is sourced from PubChem (CID 90061966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).