methyl 4-formylnaphthalene-1-carboxylate

C13H10O3 — CID 10330854

IUPACmethyl 4-formylnaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C13H10O3/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyRQODTKJVTXOAHI-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.44
Rot. Bonds2

About methyl 4-formylnaphthalene-1-carboxylate

methyl 4-formylnaphthalene-1-carboxylate (PubChem CID 10330854) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 4-formylnaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-formylnaphthalene-1-carboxylate
PubChem CID10330854
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Namemethyl 4-formylnaphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C13H10O3/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-8H,1H3
InChIKeyRQODTKJVTXOAHI-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-acetylnaphthalene-1-carbaldehyde
CID 59092057
methyl 4-(bromomethyl)naphthalene-1-carboxylate;methyl 4-formylnaphthalene-1-carboxylate;methyl 4-methylnaphthalene-1-carboxylate;4-methylnaphthalene-1-carboxylic acid
CID 161341172
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 3-cyano-4-formyl-2-methoxybenzoate
CID 134647318
dimethyl 3,6-diformylbenzene-1,2-dicarboxylate
CID 145162990
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
CID 121333803
ethyl 2-(4-formylnaphthalen-1-yl)prop-2-enoate
CID 87417238
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
(4-formylnaphthalen-1-yl) acetate
CID 15584813
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321

Frequently Asked Questions

What is the IUPAC name of methyl 4-formylnaphthalene-1-carboxylate?
The IUPAC name of methyl 4-formylnaphthalene-1-carboxylate (CID 10330854) is methyl 4-formylnaphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-formylnaphthalene-1-carboxylate?
The canonical SMILES for methyl 4-formylnaphthalene-1-carboxylate is COC(=O)c1ccc(C=O)c2ccccc12.
What is the InChIKey of methyl 4-formylnaphthalene-1-carboxylate?
The InChIKey is RQODTKJVTXOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-16-13(15)12-7-6-9(8-14)10-4-2-3-5-11(10)12/h2-8H,1H3.
What are the key properties of methyl 4-formylnaphthalene-1-carboxylate?
methyl 4-formylnaphthalene-1-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formylnaphthalene-1-carboxylate is sourced from PubChem (CID 10330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).