2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid

C21H26O4 — CID 143190657

IUPAC2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid
SMILESCCCOc1ccc(-c2ccc(OCC(=O)O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H26O4/c1-5-10-24-17-7-8-18(15(4)11-17)16-6-9-20(25-13-21(22)23)19(12-16)14(2)3/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,23)
InChIKeySOATVXMAKVMBPK-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.04
Rot. Bonds8

About 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid

2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid (PubChem CID 143190657) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid
PubChem CID143190657
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid
SMILESCCCOc1ccc(-c2ccc(OCC(=O)O)c(C(C)C)c2)c(C)c1
InChIInChI=1S/C21H26O4/c1-5-10-24-17-7-8-18(15(4)11-17)16-6-9-20(25-13-21(22)23)19(12-16)14(2)3/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,23)
InChIKeySOATVXMAKVMBPK-UHFFFAOYSA-N
XLogP5.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
2-chloro-1-(2-methyl-4-propoxyphenyl)propan-1-one
CID 82264521
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902
2-[4-[4-(2-iodoethoxy)cyclohexa-1,3-dien-1-yl]-2-propan-2-ylphenoxy]acetic acid
CID 148800197
2-[4-[[3-(4-ethoxy-2-methylphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 146858443
2-(5-methyl-2-propan-2-ylphenoxy)acetic acid;4-octoxybenzoic acid
CID 70198892
2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 39818032
2-methyl-4-propoxybenzoyl chloride
CID 82631959
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
2-(5-chlorooxy-2-methylphenoxy)acetic acid
CID 159849914
3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid?
The IUPAC name of 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid (CID 143190657) is 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid is CCCOc1ccc(-c2ccc(OCC(=O)O)c(C(C)C)c2)c(C)c1.
What is the InChIKey of 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid?
The InChIKey is SOATVXMAKVMBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-5-10-24-17-7-8-18(15(4)11-17)16-6-9-20(25-13-21(22)23)19(12-16)14(2)3/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,22,23).
What are the key properties of 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid?
2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid has a molecular weight of 342.44 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid is sourced from PubChem (CID 143190657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).