methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate

C15H16O4 — CID 121333803

IUPACmethyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C(OC)OC)c2ccccc12
InChIInChI=1S/C15H16O4/c1-17-14(16)12-8-9-13(15(18-2)19-3)11-7-5-4-6-10(11)12/h4-9,15H,1-3H3
InChIKeyFECHBPVCYYIDDA-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.92
Rot. Bonds4

About methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate

methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate (PubChem CID 121333803) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
PubChem CID121333803
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-(dimethoxymethyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1ccc(C(OC)OC)c2ccccc12
InChIInChI=1S/C15H16O4/c1-17-14(16)12-8-9-13(15(18-2)19-3)11-7-5-4-6-10(11)12/h4-9,15H,1-3H3
InChIKeyFECHBPVCYYIDDA-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
potassium trifluoro-(4-methoxycarbonylnaphthalen-1-yl)boranuide
CID 166000497
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-phosphanylbenzoate
CID 156736008
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 4-(4-chlorophenyl)sulfanylnaphthalene-1-carboxylate
CID 175280034
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate?
The IUPAC name of methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate (CID 121333803) is methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate is COC(=O)c1ccc(C(OC)OC)c2ccccc12.
What is the InChIKey of methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate?
The InChIKey is FECHBPVCYYIDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-17-14(16)12-8-9-13(15(18-2)19-3)11-7-5-4-6-10(11)12/h4-9,15H,1-3H3.
What are the key properties of methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate?
methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dimethoxymethyl)naphthalene-1-carboxylate is sourced from PubChem (CID 121333803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).