2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

C11H12O — CID 10241088

IUPAC2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(C)C1Cc2ccccc2O1
InChIInChI=1S/C11H12O/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,11H,1,7H2,2H3
InChIKeyDMSKTCLGSUVYMN-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.57
Rot. Bonds1

About 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 10241088) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
PubChem CID10241088
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(C)C1Cc2ccccc2O1
InChIInChI=1S/C11H12O/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,11H,1,7H2,2H3
InChIKeyDMSKTCLGSUVYMN-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (CID 10241088) is 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is C=C(C)C1Cc2ccccc2O1.
What is the InChIKey of 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is DMSKTCLGSUVYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-6,11H,1,7H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 10241088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).