(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one

C17H16O2 — CID 68642885

IUPAC(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2ccco2)C/C1=C/c1ccccc1
InChIInChI=1S/C17H16O2/c18-16-9-8-14(17-7-4-10-19-17)12-15(16)11-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2/b15-11-
InChIKeyWQPOZSZPQRGGCW-PTNGSMBKSA-N
MW252.31 g/mol
LogP4.20
Rot. Bonds2

About (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one

(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one (PubChem CID 68642885) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one
PubChem CID68642885
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one
SMILESO=C1CCC(c2ccco2)C/C1=C/c1ccccc1
InChIInChI=1S/C17H16O2/c18-16-9-8-14(17-7-4-10-19-17)12-15(16)11-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2/b15-11-
InChIKeyWQPOZSZPQRGGCW-PTNGSMBKSA-N
XLogP4.20
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one?
The IUPAC name of (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one (CID 68642885) is (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one?
The canonical SMILES for (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one is O=C1CCC(c2ccco2)C/C1=C/c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one?
The InChIKey is WQPOZSZPQRGGCW-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H16O2/c18-16-9-8-14(17-7-4-10-19-17)12-15(16)11-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2/b15-11-.
What are the key properties of (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one?
(2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one has a molecular weight of 252.31 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-4-(furan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 68642885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).