methyl 2-hydroxy-3-naphthalen-1-ylbutanoate

C15H16O3 — CID 66289635

IUPACmethyl 2-hydroxy-3-naphthalen-1-ylbutanoate
SMILESCOC(=O)C(O)C(C)c1cccc2ccccc12
InChIInChI=1S/C15H16O3/c1-10(14(16)15(17)18-2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10,14,16H,1-2H3
InChIKeyFFWNCDPKCMXXDZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds3

About methyl 2-hydroxy-3-naphthalen-1-ylbutanoate

methyl 2-hydroxy-3-naphthalen-1-ylbutanoate (PubChem CID 66289635) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-hydroxy-3-naphthalen-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-naphthalen-1-ylbutanoate
PubChem CID66289635
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 2-hydroxy-3-naphthalen-1-ylbutanoate
SMILESCOC(=O)C(O)C(C)c1cccc2ccccc12
InChIInChI=1S/C15H16O3/c1-10(14(16)15(17)18-2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10,14,16H,1-2H3
InChIKeyFFWNCDPKCMXXDZ-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
CID 11001003
1-naphthalen-1-ylethyl carbamate
CID 14959373
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-naphthalen-1-ylbutanoate?
The IUPAC name of methyl 2-hydroxy-3-naphthalen-1-ylbutanoate (CID 66289635) is methyl 2-hydroxy-3-naphthalen-1-ylbutanoate.
What is the SMILES notation for methyl 2-hydroxy-3-naphthalen-1-ylbutanoate?
The canonical SMILES for methyl 2-hydroxy-3-naphthalen-1-ylbutanoate is COC(=O)C(O)C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 2-hydroxy-3-naphthalen-1-ylbutanoate?
The InChIKey is FFWNCDPKCMXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(14(16)15(17)18-2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10,14,16H,1-2H3.
What are the key properties of methyl 2-hydroxy-3-naphthalen-1-ylbutanoate?
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate has a molecular weight of 244.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-naphthalen-1-ylbutanoate is sourced from PubChem (CID 66289635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).