(6-chloro-2-methoxynaphthalen-1-yl) formate

C12H9ClO3 — CID 175599908

IUPAC(6-chloro-2-methoxynaphthalen-1-yl) formate
SMILESCOc1ccc2cc(Cl)ccc2c1OC=O
InChIInChI=1S/C12H9ClO3/c1-15-11-5-2-8-6-9(13)3-4-10(8)12(11)16-7-14/h2-7H,1H3
InChIKeyIJNPJABZMNQQDH-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.04
Rot. Bonds3

About (6-chloro-2-methoxynaphthalen-1-yl) formate

(6-chloro-2-methoxynaphthalen-1-yl) formate (PubChem CID 175599908) has the molecular formula C12H9ClO3 and a molecular weight of 236.65 g/mol. Its IUPAC name is (6-chloro-2-methoxynaphthalen-1-yl) formate.

Molecular Properties

Compound Name(6-chloro-2-methoxynaphthalen-1-yl) formate
PubChem CID175599908
Molecular FormulaC12H9ClO3
Molecular Weight236.65 g/mol
Exact Mass236.02
IUPAC Name(6-chloro-2-methoxynaphthalen-1-yl) formate
SMILESCOc1ccc2cc(Cl)ccc2c1OC=O
InChIInChI=1S/C12H9ClO3/c1-15-11-5-2-8-6-9(13)3-4-10(8)12(11)16-7-14/h2-7H,1H3
InChIKeyIJNPJABZMNQQDH-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.04
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 (6-chloro-2-methoxynaphthalen-1-yl) formate?
The IUPAC name of (6-chloro-2-methoxynaphthalen-1-yl) formate (CID 175599908) is (6-chloro-2-methoxynaphthalen-1-yl) formate.
What is the SMILES notation for (6-chloro-2-methoxynaphthalen-1-yl) formate?
The canonical SMILES for (6-chloro-2-methoxynaphthalen-1-yl) formate is COc1ccc2cc(Cl)ccc2c1OC=O.
What is the InChIKey of (6-chloro-2-methoxynaphthalen-1-yl) formate?
The InChIKey is IJNPJABZMNQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO3/c1-15-11-5-2-8-6-9(13)3-4-10(8)12(11)16-7-14/h2-7H,1H3.
What are the key properties of (6-chloro-2-methoxynaphthalen-1-yl) formate?
(6-chloro-2-methoxynaphthalen-1-yl) formate has a molecular weight of 236.65 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methoxynaphthalen-1-yl) formate is sourced from PubChem (CID 175599908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).