5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid

C15H20O4 — CID 82054166

IUPAC5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)O)c(C(C)C)c1
InChIInChI=1S/C15H20O4/c1-10(2)13-9-11(19-3)7-8-12(13)14(16)5-4-6-15(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyMVSKJBRZHHLXTJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.26
Rot. Bonds7

About 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid

5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid (PubChem CID 82054166) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
PubChem CID82054166
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)CCCC(=O)O)c(C(C)C)c1
InChIInChI=1S/C15H20O4/c1-10(2)13-9-11(19-3)7-8-12(13)14(16)5-4-6-15(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)
InChIKeyMVSKJBRZHHLXTJ-UHFFFAOYSA-N
XLogP3.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-methoxy-2-propan-2-ylphenyl)methanone
CID 139968368
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
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CID 93193900
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
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5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189
1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
4-[1-(2-bromo-4-methoxyphenyl)ethylamino]butanoic acid
CID 122035910
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CID 120684507

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid (CID 82054166) is 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid is COc1ccc(C(=O)CCCC(=O)O)c(C(C)C)c1.
What is the InChIKey of 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid?
The InChIKey is MVSKJBRZHHLXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)13-9-11(19-3)7-8-12(13)14(16)5-4-6-15(17)18/h7-10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid?
5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82054166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).