4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid

C14H18O5 — CID 62023686

IUPAC4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1COCC1CCCO1
InChIInChI=1S/C14H18O5/c1-17-13-5-4-10(14(15)16)7-11(13)8-18-9-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,15,16)
InChIKeyBZYNPMSORJWBNL-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.09
Rot. Bonds6

About 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid

4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid (PubChem CID 62023686) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
PubChem CID62023686
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1COCC1CCCO1
InChIInChI=1S/C14H18O5/c1-17-13-5-4-10(14(15)16)7-11(13)8-18-9-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,15,16)
InChIKeyBZYNPMSORJWBNL-UHFFFAOYSA-N
XLogP2.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(oxan-4-ylmethoxymethyl)benzoic acid
CID 62387265
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
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4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]boronic acid
CID 65327740
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
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4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid (CID 62023686) is 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid is COc1ccc(C(=O)O)cc1COCC1CCCO1.
What is the InChIKey of 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid?
The InChIKey is BZYNPMSORJWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-13-5-4-10(14(15)16)7-11(13)8-18-9-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid?
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid is sourced from PubChem (CID 62023686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).