6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one

C16H20O4 — CID 102280619

IUPAC6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H20O4/c1-4-20-12-5-6-15(16(17)10-12)11-7-13(18-2)9-14(8-11)19-3/h7-10,15H,4-6H2,1-3H3
InChIKeyDDCSIWIAKFHGDN-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.07
Rot. Bonds5

About 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one

6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one (PubChem CID 102280619) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one
PubChem CID102280619
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C16H20O4/c1-4-20-12-5-6-15(16(17)10-12)11-7-13(18-2)9-14(8-11)19-3/h7-10,15H,4-6H2,1-3H3
InChIKeyDDCSIWIAKFHGDN-UHFFFAOYSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one (CID 102280619) is 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one is CCOC1=CC(=O)C(c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one?
The InChIKey is DDCSIWIAKFHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-20-12-5-6-15(16(17)10-12)11-7-13(18-2)9-14(8-11)19-3/h7-10,15H,4-6H2,1-3H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one?
6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one has a molecular weight of 276.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-3-ethoxycyclohex-2-en-1-one is sourced from PubChem (CID 102280619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).