3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid

C15H22O3 — CID 112516192

IUPAC3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H22O3/c1-5-12(9-15(16)17)13-6-7-14(11(4)8-13)18-10(2)3/h6-8,10,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyFEIDZXAHKRZDOV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.75
Rot. Bonds6

About 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid

3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid (PubChem CID 112516192) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid.

Molecular Properties

Compound Name3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
PubChem CID112516192
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
SMILESCCC(CC(=O)O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H22O3/c1-5-12(9-15(16)17)13-6-7-14(11(4)8-13)18-10(2)3/h6-8,10,12H,5,9H2,1-4H3,(H,16,17)
InChIKeyFEIDZXAHKRZDOV-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid?
The IUPAC name of 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid (CID 112516192) is 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid.
What is the SMILES notation for 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid?
The canonical SMILES for 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid is CCC(CC(=O)O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid?
The InChIKey is FEIDZXAHKRZDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-12(9-15(16)17)13-6-7-14(11(4)8-13)18-10(2)3/h6-8,10,12H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid?
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid is sourced from PubChem (CID 112516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).