4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol

C15H20O2 — CID 67814377

IUPAC4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOC(c1cccc2c1CCC2O)C1CCC1
InChIInChI=1S/C15H20O2/c1-17-15(10-4-2-5-10)13-7-3-6-12-11(13)8-9-14(12)16/h3,6-7,10,14-16H,2,4-5,8-9H2,1H3
InChIKeyYYZDQNHVWBJFLK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.15
Rot. Bonds3

About 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol

4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 67814377) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID67814377
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESCOC(c1cccc2c1CCC2O)C1CCC1
InChIInChI=1S/C15H20O2/c1-17-15(10-4-2-5-10)13-7-3-6-12-11(13)8-9-14(12)16/h3,6-7,10,14-16H,2,4-5,8-9H2,1H3
InChIKeyYYZDQNHVWBJFLK-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol (CID 67814377) is 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol is COC(c1cccc2c1CCC2O)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is YYZDQNHVWBJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-15(10-4-2-5-10)13-7-3-6-12-11(13)8-9-14(12)16/h3,6-7,10,14-16H,2,4-5,8-9H2,1H3.
What are the key properties of 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol?
4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 232.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).