3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one

C16H20O5 — CID 626129

IUPAC3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
SMILESCOC1=C(c2cc(OC)c(OC)cc2OC)C(=O)CCC1
InChIInChI=1S/C16H20O5/c1-18-12-7-5-6-11(17)16(12)10-8-14(20-3)15(21-4)9-13(10)19-2/h8-9H,5-7H2,1-4H3
InChIKeyMCXOGHAGNNCDEN-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.82
Rot. Bonds5

About 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one

3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one (PubChem CID 626129) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
PubChem CID626129
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
SMILESCOC1=C(c2cc(OC)c(OC)cc2OC)C(=O)CCC1
InChIInChI=1S/C16H20O5/c1-18-12-7-5-6-11(17)16(12)10-8-14(20-3)15(21-4)9-13(10)19-2/h8-9H,5-7H2,1-4H3
InChIKeyMCXOGHAGNNCDEN-UHFFFAOYSA-N
XLogP2.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chloro-6-methoxyphenyl)-3-methoxycyclohex-2-en-1-one
CID 90239222
2-(2-chloro-6-methoxy-4-prop-1-ynylphenyl)-3-methoxycyclohex-2-en-1-one
CID 90239181
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
2,3-dimethoxycyclohex-2-en-1-one
CID 130030041
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
6,8-dimethoxy-2,3,9,10-tetrahydro-1H-phenanthren-4-one
CID 11118740
5,5',6,6'-tetramethoxy-2,2'-spirobi[indene]-1,1',3,3'-tetrone
CID 10834548
5-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 11355962
4,7,11,15,19,23,27,31,35,39,43,45,47,49,51,53,55,57,59,61,63,66-docosamethoxydodecacyclo[40.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41]hexahexaconta-1(44),2,4,6(64),7,9(63),10(62),11,13(61),14(60),15,17(59),18(58),19,21(57),22(56),23,25(55),26,28,30,32,34,36,38,40,42,45,47,49,51,53,65-tritriacontaene
CID 177477117
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-(2,7-dimethoxynaphthalen-1-yl)-3-methylcyclohex-2-en-1-one
CID 134958827

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one (CID 626129) is 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one is COC1=C(c2cc(OC)c(OC)cc2OC)C(=O)CCC1.
What is the InChIKey of 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one?
The InChIKey is MCXOGHAGNNCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-18-12-7-5-6-11(17)16(12)10-8-14(20-3)15(21-4)9-13(10)19-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one?
3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one has a molecular weight of 292.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2,4,5-trimethoxyphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).