(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate

C14H17FO4 — CID 71967388

IUPAC(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC2(C)CCCO2)c1F
InChIInChI=1S/C14H17FO4/c1-14(7-4-8-19-14)9-18-13(16)10-5-3-6-11(17-2)12(10)15/h3,5-6H,4,7-9H2,1-2H3
InChIKeyPZNGJVPIVLLSLV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.56
Rot. Bonds4

About (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate

(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate (PubChem CID 71967388) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate
PubChem CID71967388
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC2(C)CCCO2)c1F
InChIInChI=1S/C14H17FO4/c1-14(7-4-8-19-14)9-18-13(16)10-5-3-6-11(17-2)12(10)15/h3,5-6H,4,7-9H2,1-2H3
InChIKeyPZNGJVPIVLLSLV-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyoxan-4-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116748849
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3-amino-3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 116608834
3-bromo-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 134658322
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
2-[(2-methyloxolan-2-yl)methyl]benzamide
CID 162688650
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
[(2R)-2-methyloxolan-2-yl]methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 99800522
(2-methyloxolan-2-yl)methyl 2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 102563709
acetic acid;1,2-difluoro-3-methoxybenzene;2-methyloxolane
CID 171794666
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate?
The IUPAC name of (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate (CID 71967388) is (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate.
What is the SMILES notation for (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate?
The canonical SMILES for (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate is COc1cccc(C(=O)OCC2(C)CCCO2)c1F.
What is the InChIKey of (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate?
The InChIKey is PZNGJVPIVLLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-14(7-4-8-19-14)9-18-13(16)10-5-3-6-11(17-2)12(10)15/h3,5-6H,4,7-9H2,1-2H3.
What are the key properties of (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate?
(2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate has a molecular weight of 268.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)methyl 2-fluoro-3-methoxybenzoate is sourced from PubChem (CID 71967388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).