ethane;1-(3H-inden-1-yl)ethanol;methane

C16H28O — CID 159608364

IUPACethane;1-(3H-inden-1-yl)ethanol;methane
SMILESC.CC.CC.CC(O)C1=CCc2ccccc21
InChIInChI=1S/C11H12O.2C2H6.CH4/c1-8(12)10-7-6-9-4-2-3-5-11(9)10;2*1-2;/h2-5,7-8,12H,6H2,1H3;2*1-2H3;1H4
InChIKeyMMJCBKBITIZHJR-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.70
Rot. Bonds1

About ethane;1-(3H-inden-1-yl)ethanol;methane

ethane;1-(3H-inden-1-yl)ethanol;methane (PubChem CID 159608364) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;1-(3H-inden-1-yl)ethanol;methane.

Molecular Properties

Compound Nameethane;1-(3H-inden-1-yl)ethanol;methane
PubChem CID159608364
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Nameethane;1-(3H-inden-1-yl)ethanol;methane
SMILESC.CC.CC.CC(O)C1=CCc2ccccc21
InChIInChI=1S/C11H12O.2C2H6.CH4/c1-8(12)10-7-6-9-4-2-3-5-11(9)10;2*1-2;/h2-5,7-8,12H,6H2,1H3;2*1-2H3;1H4
InChIKeyMMJCBKBITIZHJR-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromobutan-2-yl)-1H-indene
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3H-inden-1-ol;tris(propan-2-ol);titanium
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1-(3H-inden-1-yl)-1-(methylamino)propan-2-one
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ethane;3-methyl-1H-indene
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4-[1-(3H-inden-1-yl)ethyl]morpholine
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(2S)-2-chloro-1-(3H-inden-1-yl)propan-1-one
CID 158477744
ethane;3H-inden-1-yl(dimethyl)borane
CID 90749071
3-(2-bromopropyl)-1H-indene
CID 23559641
ethane;methane;3-methylsulfonyl-1H-indene
CID 160773183
3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
3-[1-(3H-inden-1-yl)but-3-en-2-yl]-1H-indene
CID 102489808
CID 18314663
CID 18314663

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3H-inden-1-yl)ethanol;methane?
The IUPAC name of ethane;1-(3H-inden-1-yl)ethanol;methane (CID 159608364) is ethane;1-(3H-inden-1-yl)ethanol;methane.
What is the SMILES notation for ethane;1-(3H-inden-1-yl)ethanol;methane?
The canonical SMILES for ethane;1-(3H-inden-1-yl)ethanol;methane is C.CC.CC.CC(O)C1=CCc2ccccc21.
What is the InChIKey of ethane;1-(3H-inden-1-yl)ethanol;methane?
The InChIKey is MMJCBKBITIZHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.2C2H6.CH4/c1-8(12)10-7-6-9-4-2-3-5-11(9)10;2*1-2;/h2-5,7-8,12H,6H2,1H3;2*1-2H3;1H4.
What are the key properties of ethane;1-(3H-inden-1-yl)ethanol;methane?
ethane;1-(3H-inden-1-yl)ethanol;methane has a molecular weight of 236.40 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3H-inden-1-yl)ethanol;methane is sourced from PubChem (CID 159608364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).