ethane;3H-inden-5-ol;propane

C14H22O — CID 91292359

IUPACethane;3H-inden-5-ol;propane
SMILESCC.CCC.Oc1ccc2c(c1)CC=C2
InChIInChI=1S/C9H8O.C3H8.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-3-2;1-2/h1-2,4-6,10H,3H2;3H2,1-2H3;1-2H3
InChIKeyCTFYONHLUZWUKO-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.40
Rot. Bonds

About ethane;3H-inden-5-ol;propane

ethane;3H-inden-5-ol;propane (PubChem CID 91292359) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;3H-inden-5-ol;propane.

Molecular Properties

Compound Nameethane;3H-inden-5-ol;propane
PubChem CID91292359
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;3H-inden-5-ol;propane
SMILESCC.CCC.Oc1ccc2c(c1)CC=C2
InChIInChI=1S/C9H8O.C3H8.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-3-2;1-2/h1-2,4-6,10H,3H2;3H2,1-2H3;1-2H3
InChIKeyCTFYONHLUZWUKO-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-inden-5-ol
CID 21274580
6-propoxy-1H-indene
CID 19751756
N-[1-(3H-inden-5-yl)propan-2-yl]-N-methylhydroxylamine
CID 155884374
1-(3H-inden-5-yl)ethanone;hydrochloride
CID 68526957
5-methyl-1H-indene;propane
CID 91103814
6-methoxy-1H-indene
CID 22155588
pentafluoro(3H-inden-5-yl)-λ6-sulfane
CID 87609091
3H-indene-5-carbothioamide
CID 158848191
1H-indene;phenol
CID 22398273
3H-indene-5-carbonitrile
CID 141156739
6-ethynyl-1H-indene
CID 151725384
tert-butyl 2-(3H-inden-5-yl)acetate
CID 158672073

Frequently Asked Questions

What is the IUPAC name of ethane;3H-inden-5-ol;propane?
The IUPAC name of ethane;3H-inden-5-ol;propane (CID 91292359) is ethane;3H-inden-5-ol;propane.
What is the SMILES notation for ethane;3H-inden-5-ol;propane?
The canonical SMILES for ethane;3H-inden-5-ol;propane is CC.CCC.Oc1ccc2c(c1)CC=C2.
What is the InChIKey of ethane;3H-inden-5-ol;propane?
The InChIKey is CTFYONHLUZWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H8.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-3-2;1-2/h1-2,4-6,10H,3H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3H-inden-5-ol;propane?
ethane;3H-inden-5-ol;propane has a molecular weight of 206.33 g/mol, XLogP of 4.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-inden-5-ol;propane is sourced from PubChem (CID 91292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).