3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

C12H16O — CID 12646172

IUPAC3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16O/c13-8-2-3-10-6-7-11-4-1-5-12(11)9-10/h6-7,9,13H,1-5,8H2
InChIKeyAFPDTRFNRJNPSI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.10
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 12646172) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID12646172
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESOCCCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H16O/c13-8-2-3-10-6-7-11-4-1-5-12(11)9-10/h6-7,9,13H,1-5,8H2
InChIKeyAFPDTRFNRJNPSI-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 12646172) is 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is OCCCc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is AFPDTRFNRJNPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-8-2-3-10-6-7-11-4-1-5-12(11)9-10/h6-7,9,13H,1-5,8H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 12646172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).