(5-methoxynaphthalen-1-yl) formate

C12H10O3 — CID 11447000

IUPAC(5-methoxynaphthalen-1-yl) formate
SMILESCOc1cccc2c(OC=O)cccc12
InChIInChI=1S/C12H10O3/c1-14-11-6-2-5-10-9(11)4-3-7-12(10)15-8-13/h2-8H,1H3
InChIKeyJEWMHYBPLCOURH-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.38
Rot. Bonds3

About (5-methoxynaphthalen-1-yl) formate

(5-methoxynaphthalen-1-yl) formate (PubChem CID 11447000) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is (5-methoxynaphthalen-1-yl) formate.

Molecular Properties

Compound Name(5-methoxynaphthalen-1-yl) formate
PubChem CID11447000
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name(5-methoxynaphthalen-1-yl) formate
SMILESCOc1cccc2c(OC=O)cccc12
InChIInChI=1S/C12H10O3/c1-14-11-6-2-5-10-9(11)4-3-7-12(10)15-8-13/h2-8H,1H3
InChIKeyJEWMHYBPLCOURH-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methoxynaphthalen-1-yl) formate?
The IUPAC name of (5-methoxynaphthalen-1-yl) formate (CID 11447000) is (5-methoxynaphthalen-1-yl) formate.
What is the SMILES notation for (5-methoxynaphthalen-1-yl) formate?
The canonical SMILES for (5-methoxynaphthalen-1-yl) formate is COc1cccc2c(OC=O)cccc12.
What is the InChIKey of (5-methoxynaphthalen-1-yl) formate?
The InChIKey is JEWMHYBPLCOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-11-6-2-5-10-9(11)4-3-7-12(10)15-8-13/h2-8H,1H3.
What are the key properties of (5-methoxynaphthalen-1-yl) formate?
(5-methoxynaphthalen-1-yl) formate has a molecular weight of 202.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxynaphthalen-1-yl) formate is sourced from PubChem (CID 11447000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).