4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid

C14H14O5 — CID 61379364

IUPAC4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H14O5/c1-9-3-4-11(19-9)8-18-13-7-10(17-2)5-6-12(13)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyAIKDALSWCZKCJV-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.87
Rot. Bonds5

About 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid

4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid (PubChem CID 61379364) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
PubChem CID61379364
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H14O5/c1-9-3-4-11(19-9)8-18-13-7-10(17-2)5-6-12(13)14(15)16/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyAIKDALSWCZKCJV-UHFFFAOYSA-N
XLogP2.87
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379041
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
2-but-2-enoxy-4-methoxybenzoic acid
CID 61379318
4-methoxy-2-(3-methylbut-2-enoxy)benzoic acid
CID 60693202
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 102875976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid (CID 61379364) is 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid is COc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1.
What is the InChIKey of 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The InChIKey is AIKDALSWCZKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-9-3-4-11(19-9)8-18-13-7-10(17-2)5-6-12(13)14(15)16/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid has a molecular weight of 262.26 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 61379364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).