ethane;5-methyl-2,3-dihydro-1-benzofuran;propane

C16H30O — CID 145162253

IUPACethane;5-methyl-2,3-dihydro-1-benzofuran;propane
SMILESCC.CC.CCC.Cc1ccc2c(c1)CCO2
InChIInChI=1S/C9H10O.C3H8.2C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;2*1-2/h2-3,6H,4-5H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWPCXERGMVAXCAE-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.40
Rot. Bonds

About ethane;5-methyl-2,3-dihydro-1-benzofuran;propane

ethane;5-methyl-2,3-dihydro-1-benzofuran;propane (PubChem CID 145162253) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydro-1-benzofuran;propane.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydro-1-benzofuran;propane
PubChem CID145162253
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameethane;5-methyl-2,3-dihydro-1-benzofuran;propane
SMILESCC.CC.CCC.Cc1ccc2c(c1)CCO2
InChIInChI=1S/C9H10O.C3H8.2C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;2*1-2/h2-3,6H,4-5H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyWPCXERGMVAXCAE-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran
CID 143949912
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
5-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzofuran
CID 23543562
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylbenzaldehyde
CID 65444666
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydro-1-benzofuran;propane?
The IUPAC name of ethane;5-methyl-2,3-dihydro-1-benzofuran;propane (CID 145162253) is ethane;5-methyl-2,3-dihydro-1-benzofuran;propane.
What is the SMILES notation for ethane;5-methyl-2,3-dihydro-1-benzofuran;propane?
The canonical SMILES for ethane;5-methyl-2,3-dihydro-1-benzofuran;propane is CC.CC.CCC.Cc1ccc2c(c1)CCO2.
What is the InChIKey of ethane;5-methyl-2,3-dihydro-1-benzofuran;propane?
The InChIKey is WPCXERGMVAXCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C3H8.2C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-3-2;2*1-2/h2-3,6H,4-5H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydro-1-benzofuran;propane?
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane has a molecular weight of 238.41 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydro-1-benzofuran;propane is sourced from PubChem (CID 145162253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).