5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid

C18H26O4 — CID 82266113

IUPAC5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
SMILESCc1cc(OC(C)C)c(C(C)C)cc1C(=O)CCCC(=O)O
InChIInChI=1S/C18H26O4/c1-11(2)14-10-15(16(19)7-6-8-18(20)21)13(5)9-17(14)22-12(3)4/h9-12H,6-8H2,1-5H3,(H,20,21)
InChIKeyIIBJOVRNJLBWGB-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.34
Rot. Bonds8

About 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid

5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid (PubChem CID 82266113) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
PubChem CID82266113
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
SMILESCc1cc(OC(C)C)c(C(C)C)cc1C(=O)CCCC(=O)O
InChIInChI=1S/C18H26O4/c1-11(2)14-10-15(16(19)7-6-8-18(20)21)13(5)9-17(14)22-12(3)4/h9-12H,6-8H2,1-5H3,(H,20,21)
InChIKeyIIBJOVRNJLBWGB-UHFFFAOYSA-N
XLogP4.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-one
CID 94978468
5-oxo-5-(2,4,5-trimethylphenyl)pentanoic acid
CID 24727183
5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82268290
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-oxobutanenitrile
CID 94977910
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
5-(3-tert-butyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82263813
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
5-(4-methoxy-2-propan-2-ylphenyl)-5-oxopentanoic acid
CID 82054166
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
4-(4-methoxy-2-methyl-5-propan-2-ylanilino)butanoic acid
CID 115218428
5-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82551889
2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid (CID 82266113) is 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid is Cc1cc(OC(C)C)c(C(C)C)cc1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The InChIKey is IIBJOVRNJLBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-11(2)14-10-15(16(19)7-6-8-18(20)21)13(5)9-17(14)22-12(3)4/h9-12H,6-8H2,1-5H3,(H,20,21).
What are the key properties of 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid?
5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid has a molecular weight of 306.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82266113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).