2,4-dimethyl-2-phenoxyheptanoic acid

C15H22O3 — CID 174503954

IUPAC2,4-dimethyl-2-phenoxyheptanoic acid
SMILESCCCC(C)CC(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C15H22O3/c1-4-8-12(2)11-15(3,14(16)17)18-13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,16,17)
InChIKeySFHIKDGKVUSNKB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.73
Rot. Bonds7

About 2,4-dimethyl-2-phenoxyheptanoic acid

2,4-dimethyl-2-phenoxyheptanoic acid (PubChem CID 174503954) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-phenoxyheptanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-phenoxyheptanoic acid
PubChem CID174503954
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2,4-dimethyl-2-phenoxyheptanoic acid
SMILESCCCC(C)CC(C)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C15H22O3/c1-4-8-12(2)11-15(3,14(16)17)18-13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,16,17)
InChIKeySFHIKDGKVUSNKB-UHFFFAOYSA-N
XLogP3.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(methylamino)-4-oxo-2-phenoxybutanoic acid
CID 68880264
3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
CID 69398776
2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
CID 69123434
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
2-cyano-3-hydroxy-2-phenoxyhexanoic acid
CID 54065072
2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
CID 114994799
2,2-diphenoxybutanoic acid
CID 159827255
2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
CID 70554359
2-methyl-2-phenoxypentan-3-ol
CID 54041367
2,2,4,4,6-pentamethylnonanoic acid
CID 143847726
4-[(6S)-6-methylnonoxy]benzoic acid
CID 18634887
2-fluoro-2-phenoxypentanoic acid
CID 70113612

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-phenoxyheptanoic acid?
The IUPAC name of 2,4-dimethyl-2-phenoxyheptanoic acid (CID 174503954) is 2,4-dimethyl-2-phenoxyheptanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-phenoxyheptanoic acid?
The canonical SMILES for 2,4-dimethyl-2-phenoxyheptanoic acid is CCCC(C)CC(C)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-phenoxyheptanoic acid?
The InChIKey is SFHIKDGKVUSNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-8-12(2)11-15(3,14(16)17)18-13-9-6-5-7-10-13/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,16,17).
What are the key properties of 2,4-dimethyl-2-phenoxyheptanoic acid?
2,4-dimethyl-2-phenoxyheptanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-phenoxyheptanoic acid is sourced from PubChem (CID 174503954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).