methyl 3-hydroxy-3-naphthalen-2-ylpropanoate

C14H14O3 — CID 14361476

IUPACmethyl 3-hydroxy-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15H,9H2,1H3
InChIKeySQXWIHZVNLOCLG-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.44
Rot. Bonds3

About methyl 3-hydroxy-3-naphthalen-2-ylpropanoate

methyl 3-hydroxy-3-naphthalen-2-ylpropanoate (PubChem CID 14361476) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-hydroxy-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-naphthalen-2-ylpropanoate
PubChem CID14361476
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Namemethyl 3-hydroxy-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O3/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15H,9H2,1H3
InChIKeySQXWIHZVNLOCLG-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
CID 138605518
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl 3-(2-methoxyanilino)-3-naphthalen-2-ylpropanoate
CID 15416909
2-(2-methoxyethoxyamino)-1-naphthalen-2-ylethanol
CID 82723004
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl 3-hydroxy-3-naphthalen-2-ylpropanoate (CID 14361476) is methyl 3-hydroxy-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl 3-hydroxy-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl 3-hydroxy-3-naphthalen-2-ylpropanoate is COC(=O)CC(O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 3-hydroxy-3-naphthalen-2-ylpropanoate?
The InChIKey is SQXWIHZVNLOCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13,15H,9H2,1H3.
What are the key properties of methyl 3-hydroxy-3-naphthalen-2-ylpropanoate?
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate has a molecular weight of 230.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 14361476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).