2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid

C15H20O5 — CID 116520653

IUPAC2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H20O5/c1-15(2)8-7-10(20-15)9-19-13-11(14(16)17)5-4-6-12(13)18-3/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyUKGZJQCOKUAFHU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.73
Rot. Bonds5

About 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid

2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid (PubChem CID 116520653) 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]-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
PubChem CID116520653
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OCC1CCC(C)(C)O1
InChIInChI=1S/C15H20O5/c1-15(2)8-7-10(20-15)9-19-13-11(14(16)17)5-4-6-12(13)18-3/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyUKGZJQCOKUAFHU-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

2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methoxybenzoic acid
CID 116520659
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzaldehyde
CID 116521952
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471767
3-[(5,5-dimethyloxolan-2-yl)methylsulfonyl]-2-methylbenzoic acid
CID 116522433
[3-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898609

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid (CID 116520653) is 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OCC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid?
The InChIKey is UKGZJQCOKUAFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-15(2)8-7-10(20-15)9-19-13-11(14(16)17)5-4-6-12(13)18-3/h4-6,10H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzoic acid?
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-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]-3-methoxybenzoic acid is sourced from PubChem (CID 116520653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).