2,3-dihydro-1H-inden-2-ylmethyl formate

C11H12O2 — CID 174952112

IUPAC2,3-dihydro-1H-inden-2-ylmethyl formate
SMILESO=COCC1Cc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-8-13-7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2
InChIKeyNCZDYJWYYJMDNQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.57
Rot. Bonds3

About 2,3-dihydro-1H-inden-2-ylmethyl formate

2,3-dihydro-1H-inden-2-ylmethyl formate (PubChem CID 174952112) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-ylmethyl formate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-ylmethyl formate
PubChem CID174952112
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2,3-dihydro-1H-inden-2-ylmethyl formate
SMILESO=COCC1Cc2ccccc2C1
InChIInChI=1S/C11H12O2/c12-8-13-7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2
InChIKeyNCZDYJWYYJMDNQ-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.57
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 2,3-dihydro-1H-inden-2-ylmethyl formate?
The IUPAC name of 2,3-dihydro-1H-inden-2-ylmethyl formate (CID 174952112) is 2,3-dihydro-1H-inden-2-ylmethyl formate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-ylmethyl formate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-ylmethyl formate is O=COCC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-ylmethyl formate?
The InChIKey is NCZDYJWYYJMDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-13-7-9-5-10-3-1-2-4-11(10)6-9/h1-4,8-9H,5-7H2.
What are the key properties of 2,3-dihydro-1H-inden-2-ylmethyl formate?
2,3-dihydro-1H-inden-2-ylmethyl formate has a molecular weight of 176.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-ylmethyl formate is sourced from PubChem (CID 174952112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).