ethane;5-methyl-1-benzofuran;propane

C14H22O — CID 145107108

IUPACethane;5-methyl-1-benzofuran;propane
SMILESCC.CCC.Cc1ccc2occc2c1
InChIInChI=1S/C9H8O.C3H8.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyNQFFAEHJVNYGBT-UHFFFAOYSA-N
MW206.33 g/mol
LogP5.18
Rot. Bonds

About ethane;5-methyl-1-benzofuran;propane

ethane;5-methyl-1-benzofuran;propane (PubChem CID 145107108) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;5-methyl-1-benzofuran;propane.

Molecular Properties

Compound Nameethane;5-methyl-1-benzofuran;propane
PubChem CID145107108
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;5-methyl-1-benzofuran;propane
SMILESCC.CCC.Cc1ccc2occc2c1
InChIInChI=1S/C9H8O.C3H8.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3
InChIKeyNQFFAEHJVNYGBT-UHFFFAOYSA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 159816062
ethyl formate;5-methyl-1-benzofuran
CID 174830176
1-benzofuran-5-yl(triethyl)silane
CID 166440885
2,6-dimethylnaphthalene;propane
CID 142191183
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
acetaldehyde;2,2-dimethylbutane;ethane;4-ethylpyridine;formaldehyde;5-methyl-1-benzofuran;pentane
CID 143812727
1-(3,4-diethyl-2,5-dihydropyrrol-1-yl)-3-methoxypropan-1-one;5-methyl-1-benzofuran
CID 142437271
6-methyl-1-benzofuran;toluene
CID 156726353
5-ethyl-6-methyl-1-benzofuran
CID 143804380
(2S)-1-(1-benzofuran-5-yl)butan-2-amine
CID 168924100
1-benzofuran-5-ol
CID 11651159
5-(chloromethyl)-1-benzofuran
CID 54069342

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-benzofuran;propane?
The IUPAC name of ethane;5-methyl-1-benzofuran;propane (CID 145107108) is ethane;5-methyl-1-benzofuran;propane.
What is the SMILES notation for ethane;5-methyl-1-benzofuran;propane?
The canonical SMILES for ethane;5-methyl-1-benzofuran;propane is CC.CCC.Cc1ccc2occc2c1.
What is the InChIKey of ethane;5-methyl-1-benzofuran;propane?
The InChIKey is NQFFAEHJVNYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C3H8.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;1-2/h2-6H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-benzofuran;propane?
ethane;5-methyl-1-benzofuran;propane has a molecular weight of 206.33 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-benzofuran;propane is sourced from PubChem (CID 145107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).