4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran

C14H20O — CID 177208658

IUPAC4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)C(C)(C)c1cccc2c1CCO2
InChIInChI=1S/C14H20O/c1-10(2)14(3,4)12-6-5-7-13-11(12)8-9-15-13/h5-7,10H,8-9H2,1-4H3
InChIKeyDVHAJNFYYXCXBQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.56
Rot. Bonds2

About 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran

4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran (PubChem CID 177208658) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
PubChem CID177208658
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)C(C)(C)c1cccc2c1CCO2
InChIInChI=1S/C14H20O/c1-10(2)14(3,4)12-6-5-7-13-11(12)8-9-15-13/h5-7,10H,8-9H2,1-4H3
InChIKeyDVHAJNFYYXCXBQ-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran (CID 177208658) is 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran is CC(C)C(C)(C)c1cccc2c1CCO2.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is DVHAJNFYYXCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)14(3,4)12-6-5-7-13-11(12)8-9-15-13/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran?
4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 204.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 177208658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).