4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran

C18H18O — CID 101032249

IUPAC4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran
SMILESCc1cc2c3c(cc(C4C=CCCC4)c2o1)CC=C3
InChIInChI=1S/C18H18O/c1-12-10-17-15-9-5-8-14(15)11-16(18(17)19-12)13-6-3-2-4-7-13/h3,5-6,9-11,13H,2,4,7-8H2,1H3
InChIKeyDEXZPDBJHRHNFZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.13
Rot. Bonds1

About 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran

4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran (PubChem CID 101032249) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran
PubChem CID101032249
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran
SMILESCc1cc2c3c(cc(C4C=CCCC4)c2o1)CC=C3
InChIInChI=1S/C18H18O/c1-12-10-17-15-9-5-8-14(15)11-16(18(17)19-12)13-6-3-2-4-7-13/h3,5-6,9-11,13H,2,4,7-8H2,1H3
InChIKeyDEXZPDBJHRHNFZ-UHFFFAOYSA-N
XLogP5.13
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.13
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 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran?
The IUPAC name of 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran (CID 101032249) is 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran is Cc1cc2c3c(cc(C4C=CCCC4)c2o1)CC=C3.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran?
The InChIKey is DEXZPDBJHRHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12-10-17-15-9-5-8-14(15)11-16(18(17)19-12)13-6-3-2-4-7-13/h3,5-6,9-11,13H,2,4,7-8H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran?
4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran has a molecular weight of 250.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2-methyl-6H-cyclopenta[e][1]benzofuran is sourced from PubChem (CID 101032249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).