(1-formylnaphthalen-2-yl) acetate

C13H10O3 — CID 2063426

IUPAC(1-formylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C=O
InChIInChI=1S/C13H10O3/c1-9(15)16-13-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-8H,1H3
InChIKeyZEYRSVAXRVITRM-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.58
Rot. Bonds2

About (1-formylnaphthalen-2-yl) acetate

(1-formylnaphthalen-2-yl) acetate (PubChem CID 2063426) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is (1-formylnaphthalen-2-yl) acetate.

Molecular Properties

Compound Name(1-formylnaphthalen-2-yl) acetate
PubChem CID2063426
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name(1-formylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2ccccc2c1C=O
InChIInChI=1S/C13H10O3/c1-9(15)16-13-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-8H,1H3
InChIKeyZEYRSVAXRVITRM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-formylnaphthalen-2-yl) 2,2,2-trichloroacetate
CID 39199916
dimethyl (Z)-2-(1-formylnaphthalen-2-yl)oxybut-2-enedioate
CID 23650328
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
(1-formylnaphthalen-2-yl) 2-fluorobenzoate
CID 40567233
2-[C-(1-formylnaphthalen-2-yl)oxycarbonimidoyl]prop-2-enoic acid
CID 143555581
propan-2-yl (2Z)-2-[(2-acetyloxynaphthalen-1-yl)methylidene]-3-oxobutanoate
CID 21237079
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
(4-formylnaphthalen-1-yl) acetate
CID 15584813
2-methoxyethyl (2Z)-2-[(2-acetyloxynaphthalen-1-yl)methylidene]-3-oxobutanoate
CID 21237084
2-(2-hydroxypropoxy)naphthalene-1-carbaldehyde
CID 60884344

Frequently Asked Questions

What is the IUPAC name of (1-formylnaphthalen-2-yl) acetate?
The IUPAC name of (1-formylnaphthalen-2-yl) acetate (CID 2063426) is (1-formylnaphthalen-2-yl) acetate.
What is the SMILES notation for (1-formylnaphthalen-2-yl) acetate?
The canonical SMILES for (1-formylnaphthalen-2-yl) acetate is CC(=O)Oc1ccc2ccccc2c1C=O.
What is the InChIKey of (1-formylnaphthalen-2-yl) acetate?
The InChIKey is ZEYRSVAXRVITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-9(15)16-13-7-6-10-4-2-3-5-11(10)12(13)8-14/h2-8H,1H3.
What are the key properties of (1-formylnaphthalen-2-yl) acetate?
(1-formylnaphthalen-2-yl) acetate has a molecular weight of 214.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylnaphthalen-2-yl) acetate is sourced from PubChem (CID 2063426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).