5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran

C12H18O — CID 178088335

IUPAC5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran
SMILESCC1C=C(C(C)C)C2=C(COC2)C1
InChIInChI=1S/C12H18O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyVQRNKJUOZCFQJX-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.94
Rot. Bonds1

About 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran

5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran (PubChem CID 178088335) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran.

Molecular Properties

Compound Name5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran
PubChem CID178088335
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran
SMILESCC1C=C(C(C)C)C2=C(COC2)C1
InChIInChI=1S/C12H18O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h5,8-9H,4,6-7H2,1-3H3
InChIKeyVQRNKJUOZCFQJX-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
Marmelo oxide B
CID 14379831
Marmelo oxide A
CID 14379832
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
4-Methyl-2-(3-methylbuta-1,3-dienyl)oxolane
CID 86247097
4-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]oxolane
CID 131751905
6,7-Tetrahydroisobenzofuran
CID 21849955
Tetrahydroisobenzofuran
CID 22708525
Tetrahydrocyclopenta[c]pyran
CID 70142574
4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 91333642
6-(Prop-2-enoxymethyl)-1,3,3a,4-tetrahydro-2-benzofuran
CID 11332995
4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11830318

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran?
The IUPAC name of 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran (CID 178088335) is 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran.
What is the SMILES notation for 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran?
The canonical SMILES for 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran is CC1C=C(C(C)C)C2=C(COC2)C1.
What is the InChIKey of 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran?
The InChIKey is VQRNKJUOZCFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8(2)11-5-9(3)4-10-6-13-7-12(10)11/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran?
5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran has a molecular weight of 178.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propan-2-yl-1,3,4,5-tetrahydro-2-benzofuran is sourced from PubChem (CID 178088335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).