3-(1H-inden-2-yl)-2-methylpropan-1-ol

C13H16O — CID 158884678

IUPAC3-(1H-inden-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1=Cc2ccccc2C1
InChIInChI=1S/C13H16O/c1-10(9-14)6-11-7-12-4-2-3-5-13(12)8-11/h2-5,7,10,14H,6,8-9H2,1H3
InChIKeyYZVUBEVGKDDEMK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.64
Rot. Bonds3

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

3-(1H-inden-2-yl)-2-methylpropan-1-ol (PubChem CID 158884678) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(1H-inden-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1H-inden-2-yl)-2-methylpropan-1-ol
PubChem CID158884678
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-(1H-inden-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1=Cc2ccccc2C1
InChIInChI=1S/C13H16O/c1-10(9-14)6-11-7-12-4-2-3-5-13(12)8-11/h2-5,7,10,14H,6,8-9H2,1H3
InChIKeyYZVUBEVGKDDEMK-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-inden-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(1H-inden-2-yl)-2-methylpropan-1-ol (CID 158884678) is 3-(1H-inden-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1H-inden-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1H-inden-2-yl)-2-methylpropan-1-ol is CC(CO)CC1=Cc2ccccc2C1.
What is the InChIKey of 3-(1H-inden-2-yl)-2-methylpropan-1-ol?
The InChIKey is YZVUBEVGKDDEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-10(9-14)6-11-7-12-4-2-3-5-13(12)8-11/h2-5,7,10,14H,6,8-9H2,1H3.
What are the key properties of 3-(1H-inden-2-yl)-2-methylpropan-1-ol?
3-(1H-inden-2-yl)-2-methylpropan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 158884678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).