2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid

C13H18O4 — CID 80741080

IUPAC2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
SMILESCC(C)OCCOc1ccccc1CC(=O)O
InChIInChI=1S/C13H18O4/c1-10(2)16-7-8-17-12-6-4-3-5-11(12)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyFRPFGKMWBPBQAO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds7

About 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid

2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid (PubChem CID 80741080) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
PubChem CID80741080
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid
SMILESCC(C)OCCOc1ccccc1CC(=O)O
InChIInChI=1S/C13H18O4/c1-10(2)16-7-8-17-12-6-4-3-5-11(12)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChIKeyFRPFGKMWBPBQAO-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
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-propan-2-yloxyethoxy)phenyl]methanol
CID 28945937
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
1-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-one
CID 43799153
2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid (CID 80741080) is 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid is CC(C)OCCOc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid?
The InChIKey is FRPFGKMWBPBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-10(2)16-7-8-17-12-6-4-3-5-11(12)9-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid?
2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid has a molecular weight of 238.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-yloxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 80741080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).