1,2,3,4-tetrahydronaphthalen-2-yl formate

C11H12O2 — CID 88796970

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl formate
SMILESO=COC1CCc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2
InChIKeyULWHVIRITRMOFA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.72
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl formate

1,2,3,4-tetrahydronaphthalen-2-yl formate (PubChem CID 88796970) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl formate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl formate
PubChem CID88796970
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl formate
SMILESO=COC1CCc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2
InChIKeyULWHVIRITRMOFA-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.72
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 1,2,3,4-tetrahydronaphthalen-2-yl formate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl formate (CID 88796970) is 1,2,3,4-tetrahydronaphthalen-2-yl formate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl formate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl formate is O=COC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl formate?
The InChIKey is ULWHVIRITRMOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-13-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,8,11H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl formate?
1,2,3,4-tetrahydronaphthalen-2-yl formate has a molecular weight of 176.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl formate is sourced from PubChem (CID 88796970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).