3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one

C15H20O4 — CID 83554775

IUPAC3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one
SMILESCOc1cc(OC)c(C2CCCC(=O)C2)cc1OC
InChIInChI=1S/C15H20O4/c1-17-13-9-15(19-3)14(18-2)8-12(13)10-5-4-6-11(16)7-10/h8-10H,4-7H2,1-3H3
InChIKeyCQXRRBRKHVIYPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds4

About 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one

3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one (PubChem CID 83554775) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one
PubChem CID83554775
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one
SMILESCOc1cc(OC)c(C2CCCC(=O)C2)cc1OC
InChIInChI=1S/C15H20O4/c1-17-13-9-15(19-3)14(18-2)8-12(13)10-5-4-6-11(16)7-10/h8-10H,4-7H2,1-3H3
InChIKeyCQXRRBRKHVIYPN-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one?
The IUPAC name of 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one (CID 83554775) is 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one?
The canonical SMILES for 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one is COc1cc(OC)c(C2CCCC(=O)C2)cc1OC.
What is the InChIKey of 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one?
The InChIKey is CQXRRBRKHVIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-13-9-15(19-3)14(18-2)8-12(13)10-5-4-6-11(16)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one?
3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one has a molecular weight of 264.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-trimethoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 83554775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).