3-(6-ethylnaphthalen-2-yl)propanoic acid

C15H16O2 — CID 144687708

IUPAC3-(6-ethylnaphthalen-2-yl)propanoic acid
SMILESCCc1ccc2cc(CCC(=O)O)ccc2c1
InChIInChI=1S/C15H16O2/c1-2-11-3-6-14-10-12(5-8-15(16)17)4-7-13(14)9-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17)
InChIKeyXPNRGWSBWWEMPR-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.42
Rot. Bonds4

About 3-(6-ethylnaphthalen-2-yl)propanoic acid

3-(6-ethylnaphthalen-2-yl)propanoic acid (PubChem CID 144687708) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(6-ethylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-ethylnaphthalen-2-yl)propanoic acid
PubChem CID144687708
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-(6-ethylnaphthalen-2-yl)propanoic acid
SMILESCCc1ccc2cc(CCC(=O)O)ccc2c1
InChIInChI=1S/C15H16O2/c1-2-11-3-6-14-10-12(5-8-15(16)17)4-7-13(14)9-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17)
InChIKeyXPNRGWSBWWEMPR-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20987714
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
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4-(6-ethylnaphthalen-2-yl)-2-hydroxybutanamide
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3-(2-naphthalen-2-ylethylamino)propanoic acid
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3-(5-ethyl-2-methoxyphenyl)propanoic acid
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3-[3,4-bis(2-carboxyethyl)phenyl]propanoic acid
CID 11119944
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
3-(2-ethyl-1,3-benzothiazol-6-yl)propanoic acid
CID 84698737
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
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10-naphthalen-2-yldecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethylnaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(6-ethylnaphthalen-2-yl)propanoic acid (CID 144687708) is 3-(6-ethylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-ethylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(6-ethylnaphthalen-2-yl)propanoic acid is CCc1ccc2cc(CCC(=O)O)ccc2c1.
What is the InChIKey of 3-(6-ethylnaphthalen-2-yl)propanoic acid?
The InChIKey is XPNRGWSBWWEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-11-3-6-14-10-12(5-8-15(16)17)4-7-13(14)9-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17).
What are the key properties of 3-(6-ethylnaphthalen-2-yl)propanoic acid?
3-(6-ethylnaphthalen-2-yl)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 144687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).