methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate

C19H16O5 — CID 78878639

IUPACmethyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(COc2ccc3ccccc3c2C=O)cc1C
InChIInChI=1S/C19H16O5/c1-12-9-14(24-18(12)19(21)22-2)11-23-17-8-7-13-5-3-4-6-15(13)16(17)10-20/h3-10H,11H2,1-2H3
InChIKeyBVLZATUBCJNRFN-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.92
Rot. Bonds5

About methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate

methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate (PubChem CID 78878639) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate
PubChem CID78878639
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Namemethyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(COc2ccc3ccccc3c2C=O)cc1C
InChIInChI=1S/C19H16O5/c1-12-9-14(24-18(12)19(21)22-2)11-23-17-8-7-13-5-3-4-6-15(13)16(17)10-20/h3-10H,11H2,1-2H3
InChIKeyBVLZATUBCJNRFN-UHFFFAOYSA-N
XLogP3.92
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-1,2-oxazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 86041011
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43388676
methyl 3-methyl-5-[[2-(1H-1,2,4-triazol-5-yl)phenoxy]methyl]furan-2-carboxylate
CID 71916921
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
(1-formylnaphthalen-2-yl) acetate
CID 2063426
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
4-[(1-formylnaphthalen-2-yl)oxymethyl]-N,N-dimethylbenzamide
CID 134036287
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 107693729
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate (CID 78878639) is methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(COc2ccc3ccccc3c2C=O)cc1C.
What is the InChIKey of methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate?
The InChIKey is BVLZATUBCJNRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-12-9-14(24-18(12)19(21)22-2)11-23-17-8-7-13-5-3-4-6-15(13)16(17)10-20/h3-10H,11H2,1-2H3.
What are the key properties of methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate?
methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-formylnaphthalen-2-yl)oxymethyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 78878639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).