3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid

C18H28O3 — CID 83958259

IUPAC3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C18H28O3/c1-6-14(10-18(19)20)15-7-8-17(21-11-12(2)3)16(9-15)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyFOFKNYFNGAOHEU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.81
Rot. Bonds8

About 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid

3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid (PubChem CID 83958259) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
PubChem CID83958259
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C18H28O3/c1-6-14(10-18(19)20)15-7-8-17(21-11-12(2)3)16(9-15)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,20)
InChIKeyFOFKNYFNGAOHEU-UHFFFAOYSA-N
XLogP4.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
5-(4-ethoxy-3-propan-2-ylphenyl)heptane-2,3-diol
CID 83935302
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
CID 83934635
3-(3-amino-4-chlorophenyl)pentanoic acid
CID 67215699
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373
5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
CID 112516981
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
CID 83934656

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid?
The IUPAC name of 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid (CID 83958259) is 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid?
The canonical SMILES for 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid is CCC(CC(=O)O)c1ccc(OCC(C)C)c(C(C)C)c1.
What is the InChIKey of 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid?
The InChIKey is FOFKNYFNGAOHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-14(10-18(19)20)15-7-8-17(21-11-12(2)3)16(9-15)13(4)5/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,20).
What are the key properties of 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid?
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid has a molecular weight of 292.42 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid is sourced from PubChem (CID 83958259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).