4-(4-ethoxynaphthalen-1-yl)butanoic acid

C16H18O3 — CID 82263167

IUPAC4-(4-ethoxynaphthalen-1-yl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)c2ccccc12
InChIInChI=1S/C16H18O3/c1-2-19-15-11-10-12(6-5-9-16(17)18)13-7-3-4-8-14(13)15/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,17,18)
InChIKeyXZJRYDPOZPAXNU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.65
Rot. Bonds6

About 4-(4-ethoxynaphthalen-1-yl)butanoic acid

4-(4-ethoxynaphthalen-1-yl)butanoic acid (PubChem CID 82263167) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-ethoxynaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethoxynaphthalen-1-yl)butanoic acid
PubChem CID82263167
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(4-ethoxynaphthalen-1-yl)butanoic acid
SMILESCCOc1ccc(CCCC(=O)O)c2ccccc12
InChIInChI=1S/C16H18O3/c1-2-19-15-11-10-12(6-5-9-16(17)18)13-7-3-4-8-14(13)15/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,17,18)
InChIKeyXZJRYDPOZPAXNU-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179
3-(2-ethoxynaphthalen-1-yl)propanoic acid
CID 9149906
5-[(4-ethoxynaphthalene-1-carbothioyl)amino]pentanoic acid
CID 59052603
4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117321755
4-(2-bromo-4,5-diethoxyphenyl)butanoic acid
CID 43330604
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
3-(2-ethoxy-5-phenylphenyl)propanoic acid
CID 83969109
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxynaphthalen-1-yl)butanoic acid?
The IUPAC name of 4-(4-ethoxynaphthalen-1-yl)butanoic acid (CID 82263167) is 4-(4-ethoxynaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-ethoxynaphthalen-1-yl)butanoic acid?
The canonical SMILES for 4-(4-ethoxynaphthalen-1-yl)butanoic acid is CCOc1ccc(CCCC(=O)O)c2ccccc12.
What is the InChIKey of 4-(4-ethoxynaphthalen-1-yl)butanoic acid?
The InChIKey is XZJRYDPOZPAXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-19-15-11-10-12(6-5-9-16(17)18)13-7-3-4-8-14(13)15/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,17,18).
What are the key properties of 4-(4-ethoxynaphthalen-1-yl)butanoic acid?
4-(4-ethoxynaphthalen-1-yl)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxynaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 82263167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).