5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one

C17H16O3 — CID 24747168

IUPAC5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CC(c3ccco3)C2)c1
InChIInChI=1S/C17H16O3/c1-19-16-5-2-4-12(11-16)13-8-14(10-15(18)9-13)17-6-3-7-20-17/h2-7,9,11,14H,8,10H2,1H3
InChIKeyBEXDWCVQYNYDJH-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.82
Rot. Bonds3

About 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one

5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 24747168) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID24747168
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1cccc(C2=CC(=O)CC(c3ccco3)C2)c1
InChIInChI=1S/C17H16O3/c1-19-16-5-2-4-12(11-16)13-8-14(10-15(18)9-13)17-6-3-7-20-17/h2-7,9,11,14H,8,10H2,1H3
InChIKeyBEXDWCVQYNYDJH-UHFFFAOYSA-N
XLogP3.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one (CID 24747168) is 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one is COc1cccc(C2=CC(=O)CC(c3ccco3)C2)c1.
What is the InChIKey of 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is BEXDWCVQYNYDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-16-5-2-4-12(11-16)13-8-14(10-15(18)9-13)17-6-3-7-20-17/h2-7,9,11,14H,8,10H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one?
5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(3-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 24747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).