2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid

C15H20O5 — CID 106793954

IUPAC2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
SMILESCOc1cc(COCC2CCCCO2)ccc1C(=O)O
InChIInChI=1S/C15H20O5/c1-18-14-8-11(5-6-13(14)15(16)17)9-19-10-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,16,17)
InChIKeyGAOUMMQHCOQWBF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.48
Rot. Bonds6

About 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid

2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid (PubChem CID 106793954) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
PubChem CID106793954
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
SMILESCOc1cc(COCC2CCCCO2)ccc1C(=O)O
InChIInChI=1S/C15H20O5/c1-18-14-8-11(5-6-13(14)15(16)17)9-19-10-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,16,17)
InChIKeyGAOUMMQHCOQWBF-UHFFFAOYSA-N
XLogP2.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
4-(oxolan-2-ylmethoxymethyl)-2-phenylbenzoic acid
CID 22014161
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
4-methoxy-3-(oxolan-2-ylmethoxymethyl)benzoic acid
CID 62023686
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
4-(cyclopentylmethyl)-2-methoxybenzoic acid
CID 23021577
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
2-amino-4-methoxy-5-(oxolan-2-ylmethoxy)benzoic acid
CID 43380107

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid?
The IUPAC name of 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid (CID 106793954) is 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid?
The canonical SMILES for 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid is COc1cc(COCC2CCCCO2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid?
The InChIKey is GAOUMMQHCOQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-14-8-11(5-6-13(14)15(16)17)9-19-10-12-4-2-3-7-20-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid?
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid is sourced from PubChem (CID 106793954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).