ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate

C15H16O4 — CID 67126334

IUPACethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate
SMILESCCOC(=O)C(O)c1c(C)cc2ccccc2c1O
InChIInChI=1S/C15H16O4/c1-3-19-15(18)14(17)12-9(2)8-10-6-4-5-7-11(10)13(12)16/h4-8,14,16-17H,3H2,1-2H3
InChIKeyLCTQISFOCKGNPL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.45
Rot. Bonds3

About ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate

ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate (PubChem CID 67126334) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate
PubChem CID67126334
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate
SMILESCCOC(=O)C(O)c1c(C)cc2ccccc2c1O
InChIInChI=1S/C15H16O4/c1-3-19-15(18)14(17)12-9(2)8-10-6-4-5-7-11(10)13(12)16/h4-8,14,16-17H,3H2,1-2H3
InChIKeyLCTQISFOCKGNPL-UHFFFAOYSA-N
XLogP2.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-anthracen-9-yl-2-methoxyacetate
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ethyl (3S)-3-amino-3-anthracen-9-yl-2-fluoropropanoate
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ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
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sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117487979
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
ethyl 2-(3-chloro-4-hydroxy-2,6-dimethylphenyl)-2-hydroxyacetate
CID 117400438
ethyl acetate;phenanthrene
CID 160726264
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate (CID 67126334) is ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate is CCOC(=O)C(O)c1c(C)cc2ccccc2c1O.
What is the InChIKey of ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate?
The InChIKey is LCTQISFOCKGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-3-19-15(18)14(17)12-9(2)8-10-6-4-5-7-11(10)13(12)16/h4-8,14,16-17H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate?
ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate has a molecular weight of 260.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate is sourced from PubChem (CID 67126334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).