5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

C14H18O5 — CID 103132673

IUPAC5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
SMILESCOc1ccc(OCC2CCC(C)O2)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-9-3-4-11(19-9)8-18-13-6-5-10(17-2)7-12(13)14(15)16/h5-7,9,11H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyFYQXHJXKKOWZKE-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.34
Rot. Bonds5

About 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid (PubChem CID 103132673) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
PubChem CID103132673
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
SMILESCOc1ccc(OCC2CCC(C)O2)c(C(=O)O)c1
InChIInChI=1S/C14H18O5/c1-9-3-4-11(19-9)8-18-13-6-5-10(17-2)7-12(13)14(15)16/h5-7,9,11H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyFYQXHJXKKOWZKE-UHFFFAOYSA-N
XLogP2.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103134531
2-[(5-methyloxolan-2-yl)methoxy]-5-nitrobenzoic acid
CID 103134540
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
potassium trifluoro-[5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135604
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
2-butoxy-5-methoxybenzoic acid
CID 43213162
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
1-[2-[(5-methyloxolan-2-yl)methoxy]-5-nitrophenyl]ethanone
CID 103134377
4-[(5-methyloxolan-2-yl)methoxy]-3-sulfamoylbenzoic acid
CID 103135622

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid?
The IUPAC name of 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid (CID 103132673) is 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid is COc1ccc(OCC2CCC(C)O2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid?
The InChIKey is FYQXHJXKKOWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-9-3-4-11(19-9)8-18-13-6-5-10(17-2)7-12(13)14(15)16/h5-7,9,11H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid?
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 103132673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).