5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid

C17H24O4 — CID 82551889

IUPAC5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
SMILESCc1cc(C)c(OCC(C)C)c(C(=O)CCCC(=O)O)c1
InChIInChI=1S/C17H24O4/c1-11(2)10-21-17-13(4)8-12(3)9-14(17)15(18)6-5-7-16(19)20/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyOHPJVCZYSKJASU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds8

About 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid

5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid (PubChem CID 82551889) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
PubChem CID82551889
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
SMILESCc1cc(C)c(OCC(C)C)c(C(=O)CCCC(=O)O)c1
InChIInChI=1S/C17H24O4/c1-11(2)10-21-17-13(4)8-12(3)9-14(17)15(18)6-5-7-16(19)20/h8-9,11H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyOHPJVCZYSKJASU-UHFFFAOYSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82551893
4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
4-amino-1-(2-methoxy-3,5-dimethylphenyl)butan-1-one
CID 82341665
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
CID 83942402
5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82266113
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
2,4-dimethyl-6-(2-methylpropoxy)phenol
CID 171479386

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid?
The IUPAC name of 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid (CID 82551889) is 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid is Cc1cc(C)c(OCC(C)C)c(C(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid?
The InChIKey is OHPJVCZYSKJASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-11(2)10-21-17-13(4)8-12(3)9-14(17)15(18)6-5-7-16(19)20/h8-9,11H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid?
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid is sourced from PubChem (CID 82551889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).