2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid

C17H20O4 — CID 79304708

IUPAC2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O4/c1-4-17(20,16(18)19)11(2)12-5-6-14-10-15(21-3)8-7-13(14)9-12/h5-11,20H,4H2,1-3H3,(H,18,19)
InChIKeyCVUYXRIEZYWVAM-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.18
Rot. Bonds5

About 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid

2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid (PubChem CID 79304708) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
PubChem CID79304708
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O4/c1-4-17(20,16(18)19)11(2)12-5-6-14-10-15(21-3)8-7-13(14)9-12/h5-11,20H,4H2,1-3H3,(H,18,19)
InChIKeyCVUYXRIEZYWVAM-UHFFFAOYSA-N
XLogP3.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-hydroxy-2-(6-methoxynaphthalen-2-yl)-1-phosphonopropyl]phosphonic acid
CID 13208998
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CID 10599
2-ethyl-2-hydroxy-3-phenylbutanoic acid
CID 79303573
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79304173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid (CID 79304708) is 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid is CCC(O)(C(=O)O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid?
The InChIKey is CVUYXRIEZYWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-4-17(20,16(18)19)11(2)12-5-6-14-10-15(21-3)8-7-13(14)9-12/h5-11,20H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid?
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid has a molecular weight of 288.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 79304708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).