methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate

C14H14O4 — CID 135040960

IUPACmethyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccc2ccccc2c1O
InChIInChI=1S/C14H14O4/c1-17-13(14(16)18-2)11-8-7-9-5-3-4-6-10(9)12(11)15/h3-8,13,15H,1-2H3
InChIKeySSPBNMCQCVSEMM-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate

methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate (PubChem CID 135040960) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
PubChem CID135040960
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate
SMILESCOC(=O)C(OC)c1ccc2ccccc2c1O
InChIInChI=1S/C14H14O4/c1-17-13(14(16)18-2)11-8-7-9-5-3-4-6-10(9)12(11)15/h3-8,13,15H,1-2H3
InChIKeySSPBNMCQCVSEMM-UHFFFAOYSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dihydroxy-4-(1-hydroxynaphthalen-2-yl)butanoate
CID 171896331
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
[(2S)-pentan-2-yl] (2R)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533727
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate?
The IUPAC name of methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate (CID 135040960) is methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate.
What is the SMILES notation for methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate?
The canonical SMILES for methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate is COC(=O)C(OC)c1ccc2ccccc2c1O.
What is the InChIKey of methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate?
The InChIKey is SSPBNMCQCVSEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-13(14(16)18-2)11-8-7-9-5-3-4-6-10(9)12(11)15/h3-8,13,15H,1-2H3.
What are the key properties of methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate?
methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate has a molecular weight of 246.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxynaphthalen-2-yl)-2-methoxyacetate is sourced from PubChem (CID 135040960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).