2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid

C21H24O4 — CID 70554359

IUPAC2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
SMILESCCCC(C)(Oc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)O
InChIInChI=1S/C21H24O4/c1-3-12-21(2,20(22)23)25-18-10-8-17(9-11-18)24-19-13-15-6-4-5-7-16(15)14-19/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyHDHYYLWWUBPLOF-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.26
Rot. Bonds7

About 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid

2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid (PubChem CID 70554359) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
PubChem CID70554359
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
SMILESCCCC(C)(Oc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)O
InChIInChI=1S/C21H24O4/c1-3-12-21(2,20(22)23)25-18-10-8-17(9-11-18)24-19-13-15-6-4-5-7-16(15)14-19/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyHDHYYLWWUBPLOF-UHFFFAOYSA-N
XLogP4.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(methylaminomethyl)phenoxy]pentanoic acid
CID 69141990
2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
CID 114992362
2-(4-ethylphenoxy)-2-methyloctanoic acid
CID 175308867
2-methyl-2-[4-[3-(4-phenylphenyl)but-2-enoxy]phenoxy]pentanoic acid
CID 69474931
(2S)-2-(4-benzylphenoxy)-2-methylpentanamide
CID 92967593
(3S)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-ethoxy-2-methylpropanoic acid
CID 67058287
2,4-dimethyl-2-phenoxyheptanoic acid
CID 174503954
2-(4-hydroxyphenoxy)-2-methyl-3-phenylpropanoic acid
CID 22261112
2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
CID 69223571
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
N-(4-cyclopentyloxyphenyl)-2-methyl-2-propoxypentanamide
CID 133247059
2-fluoro-2-phenoxypentanoic acid
CID 70113612

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid (CID 70554359) is 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid is CCCC(C)(Oc1ccc(OC2Cc3ccccc3C2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid?
The InChIKey is HDHYYLWWUBPLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-3-12-21(2,20(22)23)25-18-10-8-17(9-11-18)24-19-13-15-6-4-5-7-16(15)14-19/h4-11,19H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid?
2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid has a molecular weight of 340.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid is sourced from PubChem (CID 70554359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).