3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid

C15H22O3 — CID 82551979

IUPAC3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
SMILESCCc1cc(OCC(C)C)ccc1CCC(=O)O
InChIInChI=1S/C15H22O3/c1-4-12-9-14(18-10-11(2)3)7-5-13(12)6-8-15(16)17/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyFIYHGONZEDNLPJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.30
Rot. Bonds7

About 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid

3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid (PubChem CID 82551979) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
PubChem CID82551979
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
SMILESCCc1cc(OCC(C)C)ccc1CCC(=O)O
InChIInChI=1S/C15H22O3/c1-4-12-9-14(18-10-11(2)3)7-5-13(12)6-8-15(16)17/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,16,17)
InChIKeyFIYHGONZEDNLPJ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
3-[4-[3-[4-(difluoromethyl)-2-phenoxyphenoxy]-2-methylpropoxy]-2-ethylphenyl]propanoic acid
CID 143007439
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
3-[4-[3-[(1R)-1-aminoethyl]-5-methylphenoxy]-2-ethylphenyl]propanoic acid
CID 69115015
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
CID 123447747
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
3-[2-(2-methylpropoxy)-5-[6-(2-methylpropoxy)-1,2-benzoxazol-3-yl]phenyl]propanoic acid
CID 72705685
3-[N-ethyl-4-(2-methylpropoxy)anilino]propanoic acid
CID 82318812
3-[2-ethyl-4-[(2R)-4-(4-methyl-2-phenoxyphenoxy)butan-2-yl]oxyphenyl]propanoic acid
CID 58753990
3-[4-[3-(4-amino-3-ethenyl-2-methylphenoxy)propoxy]-2-ethylphenyl]propanoic acid
CID 142917183

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid?
The IUPAC name of 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid (CID 82551979) is 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid is CCc1cc(OCC(C)C)ccc1CCC(=O)O.
What is the InChIKey of 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid?
The InChIKey is FIYHGONZEDNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-12-9-14(18-10-11(2)3)7-5-13(12)6-8-15(16)17/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid?
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid is sourced from PubChem (CID 82551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).