2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran

C15H16O — CID 151112677

IUPAC2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran
SMILESCC1(C2Cc3ccccc3O2)C=CC=CC1
InChIInChI=1S/C15H16O/c1-15(9-5-2-6-10-15)14-11-12-7-3-4-8-13(12)16-14/h2-9,14H,10-11H2,1H3
InChIKeyMQLZPSBHPUVTBB-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.51
Rot. Bonds1

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

2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran (PubChem CID 151112677) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran
PubChem CID151112677
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran
SMILESCC1(C2Cc3ccccc3O2)C=CC=CC1
InChIInChI=1S/C15H16O/c1-15(9-5-2-6-10-15)14-11-12-7-3-4-8-13(12)16-14/h2-9,14H,10-11H2,1H3
InChIKeyMQLZPSBHPUVTBB-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran (CID 151112677) is 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran is CC1(C2Cc3ccccc3O2)C=CC=CC1.
What is the InChIKey of 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is MQLZPSBHPUVTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-15(9-5-2-6-10-15)14-11-12-7-3-4-8-13(12)16-14/h2-9,14H,10-11H2,1H3.
What are the key properties of 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran?
2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 212.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexa-2,4-dien-1-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 151112677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).