2-[2-(3-hydroxypropoxy)phenyl]acetic acid

C11H14O4 — CID 80742548

IUPAC2-[2-(3-hydroxypropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCCO
InChIInChI=1S/C11H14O4/c12-6-3-7-15-10-5-2-1-4-9(10)8-11(13)14/h1-2,4-5,12H,3,6-8H2,(H,13,14)
InChIKeyOOZSLUDOEOABBH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-(3-hydroxypropoxy)phenyl]acetic acid

2-[2-(3-hydroxypropoxy)phenyl]acetic acid (PubChem CID 80742548) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxypropoxy)phenyl]acetic acid
PubChem CID80742548
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[2-(3-hydroxypropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OCCCO
InChIInChI=1S/C11H14O4/c12-6-3-7-15-10-5-2-1-4-9(10)8-11(13)14/h1-2,4-5,12H,3,6-8H2,(H,13,14)
InChIKeyOOZSLUDOEOABBH-UHFFFAOYSA-N
XLogP1.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
CID 80741080
2-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]acetic acid
CID 80740396
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
1-(2-butoxyphenyl)propan-2-one
CID 82161473
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-hydroxypropoxy)phenyl]acetic acid (CID 80742548) is 2-[2-(3-hydroxypropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-hydroxypropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-hydroxypropoxy)phenyl]acetic acid is O=C(O)Cc1ccccc1OCCCO.
What is the InChIKey of 2-[2-(3-hydroxypropoxy)phenyl]acetic acid?
The InChIKey is OOZSLUDOEOABBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-6-3-7-15-10-5-2-1-4-9(10)8-11(13)14/h1-2,4-5,12H,3,6-8H2,(H,13,14).
What are the key properties of 2-[2-(3-hydroxypropoxy)phenyl]acetic acid?
2-[2-(3-hydroxypropoxy)phenyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropoxy)phenyl]acetic acid is sourced from PubChem (CID 80742548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).