4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol

C15H20O — CID 134258266

IUPAC4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
SMILESCC(C)c1c2c(cc3c1CCC3O)CCC2
InChIInChI=1S/C15H20O/c1-9(2)15-11-5-3-4-10(11)8-13-12(15)6-7-14(13)16/h8-9,14,16H,3-7H2,1-2H3
InChIKeyVQLPGJDJAUQDIH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.28
Rot. Bonds1

About 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol

4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol (PubChem CID 134258266) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
PubChem CID134258266
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol
SMILESCC(C)c1c2c(cc3c1CCC3O)CCC2
InChIInChI=1S/C15H20O/c1-9(2)15-11-5-3-4-10(11)8-13-12(15)6-7-14(13)16/h8-9,14,16H,3-7H2,1-2H3
InChIKeyVQLPGJDJAUQDIH-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol?
The IUPAC name of 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol (CID 134258266) is 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol.
What is the SMILES notation for 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol?
The canonical SMILES for 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol is CC(C)c1c2c(cc3c1CCC3O)CCC2.
What is the InChIKey of 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol?
The InChIKey is VQLPGJDJAUQDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9(2)15-11-5-3-4-10(11)8-13-12(15)6-7-14(13)16/h8-9,14,16H,3-7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol?
4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,5,6,7-hexahydro-s-indacen-1-ol is sourced from PubChem (CID 134258266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).