[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone

C28H24O2 — CID 132577276

IUPAC[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1C(C1=CCCCC1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-27(22-16-8-3-9-17-22)28-26(23-18-10-11-19-24(23)30-28)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,3-5,8-14,16-19,25H,2,6-7,15H2
InChIKeyDURYQUSEFNUVNC-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.30
Rot. Bonds5

About [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone

[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone (PubChem CID 132577276) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone
PubChem CID132577276
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1C(C1=CCCCC1)c1ccccc1
InChIInChI=1S/C28H24O2/c29-27(22-16-8-3-9-17-22)28-26(23-18-10-11-19-24(23)30-28)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,3-5,8-14,16-19,25H,2,6-7,15H2
InChIKeyDURYQUSEFNUVNC-UHFFFAOYSA-N
XLogP7.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone (CID 132577276) is [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone is O=C(c1ccccc1)c1oc2ccccc2c1C(C1=CCCCC1)c1ccccc1.
What is the InChIKey of [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone?
The InChIKey is DURYQUSEFNUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c29-27(22-16-8-3-9-17-22)28-26(23-18-10-11-19-24(23)30-28)25(20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,3-5,8-14,16-19,25H,2,6-7,15H2.
What are the key properties of [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone?
[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone has a molecular weight of 392.50 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 132577276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).