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

C17H24O — CID 113490172

IUPAC1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc2c(c1)CCC2)CC1CCC1
InChIInChI=1S/C17H24O/c1-17(18,11-13-4-2-5-13)12-14-8-9-15-6-3-7-16(15)10-14/h8-10,13,18H,2-7,11-12H2,1H3
InChIKeyDVXSFLGJUZYKPG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.66
Rot. Bonds4

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

1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol (PubChem CID 113490172) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
PubChem CID113490172
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc2c(c1)CCC2)CC1CCC1
InChIInChI=1S/C17H24O/c1-17(18,11-13-4-2-5-13)12-14-8-9-15-6-3-7-16(15)10-14/h8-10,13,18H,2-7,11-12H2,1H3
InChIKeyDVXSFLGJUZYKPG-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
3-amino-3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-yl)butan-2-one
CID 116558583
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
1-(2,3-dihydro-1H-inden-5-yl)-3-hydroxy-3-methylpentan-2-one
CID 103446716
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-cyclohexyl-1-(2,3-dihydro-1H-inden-5-ylmethylamino)propan-2-ol
CID 166350957
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
5-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-2,3-dihydro-1H-indene
CID 115927245
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351066

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol (CID 113490172) is 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol is CC(O)(Cc1ccc2c(c1)CCC2)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol?
The InChIKey is DVXSFLGJUZYKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(18,11-13-4-2-5-13)12-14-8-9-15-6-3-7-16(15)10-14/h8-10,13,18H,2-7,11-12H2,1H3.
What are the key properties of 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol?
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 113490172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).