2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol

C16H22O — CID 135053596

IUPAC2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol
SMILESCCCCC1=Cc2ccccc2[C@@H]1C(C)(C)O
InChIInChI=1S/C16H22O/c1-4-5-8-13-11-12-9-6-7-10-14(12)15(13)16(2,3)17/h6-7,9-11,15,17H,4-5,8H2,1-3H3/t15-/m1/s1
InChIKeyXNWYJTLRHAWHTC-OAHLLOKOSA-N
MW230.35 g/mol
LogP4.13
Rot. Bonds4

About 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol

2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol (PubChem CID 135053596) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol
PubChem CID135053596
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol
SMILESCCCCC1=Cc2ccccc2[C@@H]1C(C)(C)O
InChIInChI=1S/C16H22O/c1-4-5-8-13-11-12-9-6-7-10-14(12)15(13)16(2,3)17/h6-7,9-11,15,17H,4-5,8H2,1-3H3/t15-/m1/s1
InChIKeyXNWYJTLRHAWHTC-OAHLLOKOSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol?
The IUPAC name of 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol (CID 135053596) is 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol is CCCCC1=Cc2ccccc2[C@@H]1C(C)(C)O.
What is the InChIKey of 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol?
The InChIKey is XNWYJTLRHAWHTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22O/c1-4-5-8-13-11-12-9-6-7-10-14(12)15(13)16(2,3)17/h6-7,9-11,15,17H,4-5,8H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol?
2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-butyl-1H-inden-1-yl]propan-2-ol is sourced from PubChem (CID 135053596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).