2-propoxy-2,3-dihydro-1H-indene

C12H16O — CID 12009073

IUPAC2-propoxy-2,3-dihydro-1H-indene
SMILESCCCOC1Cc2ccccc2C1
InChIInChI=1S/C12H16O/c1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyFRQHJNVQDCQNCF-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.58
Rot. Bonds3

About 2-propoxy-2,3-dihydro-1H-indene

2-propoxy-2,3-dihydro-1H-indene (PubChem CID 12009073) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-propoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-propoxy-2,3-dihydro-1H-indene
PubChem CID12009073
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-propoxy-2,3-dihydro-1H-indene
SMILESCCCOC1Cc2ccccc2C1
InChIInChI=1S/C12H16O/c1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyFRQHJNVQDCQNCF-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-propoxy-2,3-dihydro-1H-indene (CID 12009073) is 2-propoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-propoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-propoxy-2,3-dihydro-1H-indene is CCCOC1Cc2ccccc2C1.
What is the InChIKey of 2-propoxy-2,3-dihydro-1H-indene?
The InChIKey is FRQHJNVQDCQNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-7-13-12-8-10-5-3-4-6-11(10)9-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 2-propoxy-2,3-dihydro-1H-indene?
2-propoxy-2,3-dihydro-1H-indene has a molecular weight of 176.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 12009073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).