2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)

C25H38O — CID 157163368

IUPAC2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10.C8H8O.2C4H10/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;2*4H,1-3H3
InChIKeyAMPYXCWBYYKUEV-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.12
Rot. Bonds

About 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)

2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane) (PubChem CID 157163368) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane).

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
PubChem CID157163368
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2
InChIInChI=1S/C9H10.C8H8O.2C4H10/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;2*4H,1-3H3
InChIKeyAMPYXCWBYYKUEV-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803
CID 163793293
CID 163793293
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
2,3-dihydro-1-benzofuran;ethane
CID 54441538
bromomethane;2,3-dihydro-1-benzofuran
CID 69259048
3,4-dihydro-2H-chromene;ethane
CID 91076984
2,3-dihydro-1H-indene;2-methylpropane
CID 91244867
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)?
The IUPAC name of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane) (CID 157163368) is 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane).
What is the SMILES notation for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)?
The canonical SMILES for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane) is CC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)?
The InChIKey is AMPYXCWBYYKUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C8H8O.2C4H10/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;2*1-4(2)3/h1-2,4-5H,3,6-7H2;1-4H,5-6H2;2*4H,1-3H3.
What are the key properties of 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)?
2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane) has a molecular weight of 354.58 g/mol, XLogP of 7.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane) is sourced from PubChem (CID 157163368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).