(3,5-dichlorophenyl)methyl formate

C8H6Cl2O2 — CID 87071318

IUPAC(3,5-dichlorophenyl)methyl formate
SMILESO=COCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O2/c9-7-1-6(4-12-5-11)2-8(10)3-7/h1-3,5H,4H2
InChIKeyVESGPGBIRGSNAU-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.67
Rot. Bonds3

About (3,5-dichlorophenyl)methyl formate

(3,5-dichlorophenyl)methyl formate (PubChem CID 87071318) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl formate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl formate
PubChem CID87071318
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name(3,5-dichlorophenyl)methyl formate
SMILESO=COCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O2/c9-7-1-6(4-12-5-11)2-8(10)3-7/h1-3,5H,4H2
InChIKeyVESGPGBIRGSNAU-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.67
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 (3,5-dichlorophenyl)methyl formate?
The IUPAC name of (3,5-dichlorophenyl)methyl formate (CID 87071318) is (3,5-dichlorophenyl)methyl formate.
What is the SMILES notation for (3,5-dichlorophenyl)methyl formate?
The canonical SMILES for (3,5-dichlorophenyl)methyl formate is O=COCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)methyl formate?
The InChIKey is VESGPGBIRGSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c9-7-1-6(4-12-5-11)2-8(10)3-7/h1-3,5H,4H2.
What are the key properties of (3,5-dichlorophenyl)methyl formate?
(3,5-dichlorophenyl)methyl formate has a molecular weight of 205.04 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl formate is sourced from PubChem (CID 87071318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).