2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid

C15H20O5 — CID 116520659

IUPAC2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCC2CCC(C)(C)O2)c(C(=O)O)c1
InChIInChI=1S/C15H20O5/c1-15(2)7-6-11(20-15)9-19-13-5-4-10(18-3)8-12(13)14(16)17/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyRVIOHJVVZVOGLN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.73
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid

2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid (PubChem CID 116520659) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
PubChem CID116520659
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
SMILESCOc1ccc(OCC2CCC(C)(C)O2)c(C(=O)O)c1
InChIInChI=1S/C15H20O5/c1-15(2)7-6-11(20-15)9-19-13-5-4-10(18-3)8-12(13)14(16)17/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyRVIOHJVVZVOGLN-UHFFFAOYSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
5-methoxy-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 103132673
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522388
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]methanol
CID 116522289
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
CID 116520653
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxyphenyl]propan-2-amine
CID 116523092
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898225
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid (CID 116520659) is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid is COc1ccc(OCC2CCC(C)(C)O2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid?
The InChIKey is RVIOHJVVZVOGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-15(2)7-6-11(20-15)9-19-13-5-4-10(18-3)8-12(13)14(16)17/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid?
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 116520659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).