3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid

C15H22O3 — CID 117379450

IUPAC3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(OC)c(CCC(=O)O)c1
InChIInChI=1S/C15H22O3/c1-4-11(5-2)12-6-8-14(18-3)13(10-12)7-9-15(16)17/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyYESRXSUHKTTYGF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.62
Rot. Bonds7

About 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid

3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid (PubChem CID 117379450) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
PubChem CID117379450
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(OC)c(CCC(=O)O)c1
InChIInChI=1S/C15H22O3/c1-4-11(5-2)12-6-8-14(18-3)13(10-12)7-9-15(16)17/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,17)
InChIKeyYESRXSUHKTTYGF-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704416
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]propanoic acid
CID 117379442
3-(3-tert-butyl-4-methoxyphenyl)pentanoic acid
CID 112501948
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-cyclopropyl-3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid
CID 117469302
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The IUPAC name of 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid (CID 117379450) is 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid is CCC(CC)c1ccc(OC)c(CCC(=O)O)c1.
What is the InChIKey of 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
The InChIKey is YESRXSUHKTTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-11(5-2)12-6-8-14(18-3)13(10-12)7-9-15(16)17/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid?
3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-pentan-3-ylphenyl)propanoic acid is sourced from PubChem (CID 117379450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).