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

C16H24O — CID 82920522

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1CCc2ccccc21
InChIInChI=1S/C16H24O/c1-3-12(4-2)11-16(17)15-10-9-13-7-5-6-8-14(13)15/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyMBTLRTAFSHDUED-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.90
Rot. Bonds5

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

1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol (PubChem CID 82920522) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol
PubChem CID82920522
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)C1CCc2ccccc21
InChIInChI=1S/C16H24O/c1-3-12(4-2)11-16(17)15-10-9-13-7-5-6-8-14(13)15/h5-8,12,15-17H,3-4,9-11H2,1-2H3
InChIKeyMBTLRTAFSHDUED-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-ol
CID 82920616
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
3-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pentan-1-ol
CID 82920523
1-(2,3-dihydro-1H-inden-1-yl)-4-methylpent-4-en-1-ol
CID 114473913
1-(2,3-dihydro-1H-inden-1-yl)pent-4-yn-1-ol
CID 65409805
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319
1-(2,3-dihydro-1H-inden-1-yl)oct-7-en-1-ol
CID 107008599
2,3-dihydro-1H-inden-1-yl-(2-methylphenyl)methanol
CID 65410784
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
[1-(2,3-dihydro-1H-inden-1-yl)-2-methylbutyl]hydrazine
CID 105234483

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol (CID 82920522) is 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol is CCC(CC)CC(O)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol?
The InChIKey is MBTLRTAFSHDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-12(4-2)11-16(17)15-10-9-13-7-5-6-8-14(13)15/h5-8,12,15-17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol?
1-(2,3-dihydro-1H-inden-1-yl)-3-ethylpentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.90, 5 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-1-yl)-3-ethylpentan-1-ol is sourced from PubChem (CID 82920522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).