7-propan-2-yl-3H-inden-5-ol

C12H14O — CID 45096598

IUPAC7-propan-2-yl-3H-inden-5-ol
SMILESCC(C)c1cc(O)cc2c1C=CC2
InChIInChI=1S/C12H14O/c1-8(2)12-7-10(13)6-9-4-3-5-11(9)12/h3,5-8,13H,4H2,1-2H3
InChIKeyJZHTXFMPMDDELT-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.08
Rot. Bonds1

About 7-propan-2-yl-3H-inden-5-ol

7-propan-2-yl-3H-inden-5-ol (PubChem CID 45096598) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 7-propan-2-yl-3H-inden-5-ol.

Molecular Properties

Compound Name7-propan-2-yl-3H-inden-5-ol
PubChem CID45096598
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name7-propan-2-yl-3H-inden-5-ol
SMILESCC(C)c1cc(O)cc2c1C=CC2
InChIInChI=1S/C12H14O/c1-8(2)12-7-10(13)6-9-4-3-5-11(9)12/h3,5-8,13H,4H2,1-2H3
InChIKeyJZHTXFMPMDDELT-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3H-inden-5-ol?
The IUPAC name of 7-propan-2-yl-3H-inden-5-ol (CID 45096598) is 7-propan-2-yl-3H-inden-5-ol.
What is the SMILES notation for 7-propan-2-yl-3H-inden-5-ol?
The canonical SMILES for 7-propan-2-yl-3H-inden-5-ol is CC(C)c1cc(O)cc2c1C=CC2.
What is the InChIKey of 7-propan-2-yl-3H-inden-5-ol?
The InChIKey is JZHTXFMPMDDELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8(2)12-7-10(13)6-9-4-3-5-11(9)12/h3,5-8,13H,4H2,1-2H3.
What are the key properties of 7-propan-2-yl-3H-inden-5-ol?
7-propan-2-yl-3H-inden-5-ol has a molecular weight of 174.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3H-inden-5-ol is sourced from PubChem (CID 45096598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).