4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid

C19H22O4 — CID 87055143

IUPAC4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid
SMILESCC(C)Oc1ccccc1-c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H22O4/c1-14(2)23-18-7-4-3-6-17(18)15-9-11-16(12-10-15)22-13-5-8-19(20)21/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,20,21)
InChIKeyGBJANRSNYZVXKM-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.38
Rot. Bonds8

About 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid

4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid (PubChem CID 87055143) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid
PubChem CID87055143
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid
SMILESCC(C)Oc1ccccc1-c1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H22O4/c1-14(2)23-18-7-4-3-6-17(18)15-9-11-16(12-10-15)22-13-5-8-19(20)21/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,20,21)
InChIKeyGBJANRSNYZVXKM-UHFFFAOYSA-N
XLogP4.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.38
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

4-[2-[4-(2-methoxyphenyl)phenoxy]ethoxy]-4-oxobutanoic acid
CID 123896806
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]-2-methylphenoxy]butanoic acid
CID 141302553
9-phenoxynonanoic acid
CID 15887638
propan-2-yl 4-phenoxybutanoate
CID 71627864
N-[(1R)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444251
N-[(1S)-1-[4-(2-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126444250
4-(4-fluorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 46632974
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid?
The IUPAC name of 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid (CID 87055143) is 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid?
The canonical SMILES for 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid is CC(C)Oc1ccccc1-c1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid?
The InChIKey is GBJANRSNYZVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-14(2)23-18-7-4-3-6-17(18)15-9-11-16(12-10-15)22-13-5-8-19(20)21/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid?
4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid has a molecular weight of 314.38 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propan-2-yloxyphenyl)phenoxy]butanoic acid is sourced from PubChem (CID 87055143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).