3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one

C20H20O3 — CID 2879253

IUPAC3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H20O3/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,12,17H,11,13H2,1-2H3
InChIKeyAGEKBMLRLTVUGG-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.23
Rot. Bonds4

About 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one

3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one (PubChem CID 2879253) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one
PubChem CID2879253
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C2=CC(=O)CC(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C20H20O3/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,12,17H,11,13H2,1-2H3
InChIKeyAGEKBMLRLTVUGG-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11943
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CID 31231
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CID 31494
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CID 71043
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CID 7599
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CID 5373780
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CID 123493
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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one (CID 2879253) is 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one is COc1ccc(C2=CC(=O)CC(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is AGEKBMLRLTVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-22-19-7-3-14(4-8-19)16-11-17(13-18(21)12-16)15-5-9-20(23-2)10-6-15/h3-10,12,17H,11,13H2,1-2H3.
What are the key properties of 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one?
3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 2879253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).