(6-methoxynaphthalen-1-yl) acetate

C13H12O3 — CID 11424471

IUPAC(6-methoxynaphthalen-1-yl) acetate
SMILESCOc1ccc2c(OC(C)=O)cccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)16-13-5-3-4-10-8-11(15-2)6-7-12(10)13/h3-8H,1-2H3
InChIKeyKKUBLWCURLIEMF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.77
Rot. Bonds2

About (6-methoxynaphthalen-1-yl) acetate

(6-methoxynaphthalen-1-yl) acetate (PubChem CID 11424471) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl) acetate
PubChem CID11424471
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name(6-methoxynaphthalen-1-yl) acetate
SMILESCOc1ccc2c(OC(C)=O)cccc2c1
InChIInChI=1S/C13H12O3/c1-9(14)16-13-5-3-4-10-8-11(15-2)6-7-12(10)13/h3-8H,1-2H3
InChIKeyKKUBLWCURLIEMF-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methylnaphthalen-1-yl) acetate
CID 14143439
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
(6-propan-2-ylnaphthalen-1-yl) acetate
CID 66701669
(1-tert-butyl-6-methoxynaphthalen-2-yl) acetate
CID 172766111
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
CID 14971234
naphthalen-1-yl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 97104194
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(7-methylnaphthalen-1-yl) acetate
CID 14143437
naphthalen-1-yl 6-methoxyquinoline-2-carboxylate
CID 24585728
(5-propan-2-ylnaphthalen-2-yl) acetate
CID 23110894

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-1-yl) acetate?
The IUPAC name of (6-methoxynaphthalen-1-yl) acetate (CID 11424471) is (6-methoxynaphthalen-1-yl) acetate.
What is the SMILES notation for (6-methoxynaphthalen-1-yl) acetate?
The canonical SMILES for (6-methoxynaphthalen-1-yl) acetate is COc1ccc2c(OC(C)=O)cccc2c1.
What is the InChIKey of (6-methoxynaphthalen-1-yl) acetate?
The InChIKey is KKUBLWCURLIEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9(14)16-13-5-3-4-10-8-11(15-2)6-7-12(10)13/h3-8H,1-2H3.
What are the key properties of (6-methoxynaphthalen-1-yl) acetate?
(6-methoxynaphthalen-1-yl) acetate has a molecular weight of 216.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl) acetate is sourced from PubChem (CID 11424471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).