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

C13H18O — CID 61087028

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18O/c1-9(2)13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14H,3-5H2,1-2H3
InChIKeyNKBWFGSXNZDYEA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.86
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol (PubChem CID 61087028) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
PubChem CID61087028
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18O/c1-9(2)13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14H,3-5H2,1-2H3
InChIKeyNKBWFGSXNZDYEA-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
1-(2,3-dihydro-1H-inden-5-yl)-2-ethoxybutan-1-ol
CID 114194360
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097101
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
CID 61101012
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
2-(butan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 82312888

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol (CID 61087028) is 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol is CC(C)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol?
The InChIKey is NKBWFGSXNZDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9(2)13(14)12-7-6-10-4-3-5-11(10)8-12/h6-9,13-14H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol?
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 61087028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).