methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate

C14H12N2O3 — CID 102205793

IUPACmethyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
SMILESCOC(=O)C(Cc1cc2ccccc2cc1O)=[N+]=[N-]
InChIInChI=1S/C14H12N2O3/c1-19-14(18)12(16-15)7-11-6-9-4-2-3-5-10(9)8-13(11)17/h2-6,8,17H,7H2,1H3
InChIKeyIZYNCRQVZGKYRA-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.93
Rot. Bonds3

About methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate

methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate (PubChem CID 102205793) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
PubChem CID102205793
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
SMILESCOC(=O)C(Cc1cc2ccccc2cc1O)=[N+]=[N-]
InChIInChI=1S/C14H12N2O3/c1-19-14(18)12(16-15)7-11-6-9-4-2-3-5-10(9)8-13(11)17/h2-6,8,17H,7H2,1H3
InChIKeyIZYNCRQVZGKYRA-UHFFFAOYSA-N
XLogP1.93
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 2-diazo-6-naphthalen-2-yl-6-oxohexanoate
CID 164687198
methyl 2-diazo-5-phenylpentanoate
CID 74317102
methyl 2-diazo-3-(4-nitrophenyl)propanoate
CID 74832983
phenyl 2-diazo-3-phenylpropanoate
CID 175187797
(3-hydroxynaphthalen-2-yl)methyl 2,2-dimethylpropanoate
CID 11276917
(3-hydroxynaphthalen-2-yl)methyl-trimethylazanium
CID 90780191
methyl 2-diazo-5-oxo-5-(2-prop-2-enylphenyl)pentanoate
CID 85086291
methyl 2-methylprop-2-enoate;pentacene
CID 159710658
methyl 2-(phenanthren-9-ylmethyl)prop-2-enoate
CID 87618745
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate?
The IUPAC name of methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate (CID 102205793) is methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate?
The canonical SMILES for methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate is COC(=O)C(Cc1cc2ccccc2cc1O)=[N+]=[N-].
What is the InChIKey of methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate?
The InChIKey is IZYNCRQVZGKYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-14(18)12(16-15)7-11-6-9-4-2-3-5-10(9)8-13(11)17/h2-6,8,17H,7H2,1H3.
What are the key properties of methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate?
methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate has a molecular weight of 256.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 102205793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).