methyl 2-fluoro-3-propoxybenzoate

C11H13FO3 — CID 146035428

IUPACmethyl 2-fluoro-3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)OC)c1F
InChIInChI=1S/C11H13FO3/c1-3-7-15-9-6-4-5-8(10(9)12)11(13)14-2/h4-6H,3,7H2,1-2H3
InChIKeyLMVPTTSWNBIZGX-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-fluoro-3-propoxybenzoate

methyl 2-fluoro-3-propoxybenzoate (PubChem CID 146035428) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl 2-fluoro-3-propoxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-propoxybenzoate
PubChem CID146035428
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-fluoro-3-propoxybenzoate
SMILESCCCOc1cccc(C(=O)OC)c1F
InChIInChI=1S/C11H13FO3/c1-3-7-15-9-6-4-5-8(10(9)12)11(13)14-2/h4-6H,3,7H2,1-2H3
InChIKeyLMVPTTSWNBIZGX-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-formyl-3-propoxybenzoate
CID 170129671
methyl 2-amino-3-butoxybenzoate
CID 61039982
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
methyl 4-methylsulfanyl-2-propoxybenzoate
CID 86116633
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
methyl 2,4-difluoro-5-[[2-(2-propoxyphenoxy)acetyl]amino]benzoate
CID 24659294
methyl 2-(2-aminoethoxy)benzoate
CID 14273287

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-propoxybenzoate?
The IUPAC name of methyl 2-fluoro-3-propoxybenzoate (CID 146035428) is methyl 2-fluoro-3-propoxybenzoate.
What is the SMILES notation for methyl 2-fluoro-3-propoxybenzoate?
The canonical SMILES for methyl 2-fluoro-3-propoxybenzoate is CCCOc1cccc(C(=O)OC)c1F.
What is the InChIKey of methyl 2-fluoro-3-propoxybenzoate?
The InChIKey is LMVPTTSWNBIZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-3-7-15-9-6-4-5-8(10(9)12)11(13)14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 2-fluoro-3-propoxybenzoate?
methyl 2-fluoro-3-propoxybenzoate has a molecular weight of 212.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-propoxybenzoate is sourced from PubChem (CID 146035428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).