(3-chloronaphthalen-2-yl)methyl formate

C12H9ClO2 — CID 174885528

IUPAC(3-chloronaphthalen-2-yl)methyl formate
SMILESO=COCc1cc2ccccc2cc1Cl
InChIInChI=1S/C12H9ClO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2
InChIKeyIAQVWGLNRQPCMZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.17
Rot. Bonds3

About (3-chloronaphthalen-2-yl)methyl formate

(3-chloronaphthalen-2-yl)methyl formate (PubChem CID 174885528) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is (3-chloronaphthalen-2-yl)methyl formate.

Molecular Properties

Compound Name(3-chloronaphthalen-2-yl)methyl formate
PubChem CID174885528
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name(3-chloronaphthalen-2-yl)methyl formate
SMILESO=COCc1cc2ccccc2cc1Cl
InChIInChI=1S/C12H9ClO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2
InChIKeyIAQVWGLNRQPCMZ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloronaphthalen-2-yl)methyl formate?
The IUPAC name of (3-chloronaphthalen-2-yl)methyl formate (CID 174885528) is (3-chloronaphthalen-2-yl)methyl formate.
What is the SMILES notation for (3-chloronaphthalen-2-yl)methyl formate?
The canonical SMILES for (3-chloronaphthalen-2-yl)methyl formate is O=COCc1cc2ccccc2cc1Cl.
What is the InChIKey of (3-chloronaphthalen-2-yl)methyl formate?
The InChIKey is IAQVWGLNRQPCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-12-6-10-4-2-1-3-9(10)5-11(12)7-15-8-14/h1-6,8H,7H2.
What are the key properties of (3-chloronaphthalen-2-yl)methyl formate?
(3-chloronaphthalen-2-yl)methyl formate has a molecular weight of 220.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloronaphthalen-2-yl)methyl formate is sourced from PubChem (CID 174885528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).