2-(3-hydroxypropoxy)-5-methoxybenzoic acid

C11H14O5 — CID 60693366

IUPAC2-(3-hydroxypropoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCCCO)c(C(=O)O)c1
InChIInChI=1S/C11H14O5/c1-15-8-3-4-10(16-6-2-5-12)9(7-8)11(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyILIVPQFIIBRYEB-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.15
Rot. Bonds6

About 2-(3-hydroxypropoxy)-5-methoxybenzoic acid

2-(3-hydroxypropoxy)-5-methoxybenzoic acid (PubChem CID 60693366) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)-5-methoxybenzoic acid
PubChem CID60693366
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(3-hydroxypropoxy)-5-methoxybenzoic acid
SMILESCOc1ccc(OCCCO)c(C(=O)O)c1
InChIInChI=1S/C11H14O5/c1-15-8-3-4-10(16-6-2-5-12)9(7-8)11(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14)
InChIKeyILIVPQFIIBRYEB-UHFFFAOYSA-N
XLogP1.15
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-5-methoxybenzoic acid
CID 43213162
5-methoxy-2-(3-methylbut-3-enoxy)benzoic acid
CID 114471317
5-methoxy-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721778
2,5-didodecoxybenzoic acid
CID 168826367
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
1-(2-butoxy-5-methoxyphenyl)propane-1,2-dione
CID 156703603
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
2-methoxy-5-propoxybenzoic acid
CID 82265622
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)-5-methoxybenzoic acid?
The IUPAC name of 2-(3-hydroxypropoxy)-5-methoxybenzoic acid (CID 60693366) is 2-(3-hydroxypropoxy)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(3-hydroxypropoxy)-5-methoxybenzoic acid?
The canonical SMILES for 2-(3-hydroxypropoxy)-5-methoxybenzoic acid is COc1ccc(OCCCO)c(C(=O)O)c1.
What is the InChIKey of 2-(3-hydroxypropoxy)-5-methoxybenzoic acid?
The InChIKey is ILIVPQFIIBRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-8-3-4-10(16-6-2-5-12)9(7-8)11(13)14/h3-4,7,12H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxypropoxy)-5-methoxybenzoic acid?
2-(3-hydroxypropoxy)-5-methoxybenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)-5-methoxybenzoic acid is sourced from PubChem (CID 60693366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).