3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

C23H28O6 — CID 19752670

IUPAC3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(OC)cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)C2(C)C)c1
InChIInChI=1S/C23H28O6/c1-23(2)16(13-8-14(25-3)10-15(9-13)26-4)11-18(24)20-17(23)12-19(27-5)21(28-6)22(20)29-7/h8-10,12,16H,11H2,1-7H3
InChIKeyUPFMFBOJXQEVDW-UHFFFAOYSA-N
MW400.47 g/mol
LogP4.38
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one

3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (PubChem CID 19752670) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
PubChem CID19752670
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
SMILESCOc1cc(OC)cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)C2(C)C)c1
InChIInChI=1S/C23H28O6/c1-23(2)16(13-8-14(25-3)10-15(9-13)26-4)11-18(24)20-17(23)12-19(27-5)21(28-6)22(20)29-7/h8-10,12,16H,11H2,1-7H3
InChIKeyUPFMFBOJXQEVDW-UHFFFAOYSA-N
XLogP4.38
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one (CID 19752670) is 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is COc1cc(OC)cc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)C2(C)C)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
The InChIKey is UPFMFBOJXQEVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O6/c1-23(2)16(13-8-14(25-3)10-15(9-13)26-4)11-18(24)20-17(23)12-19(27-5)21(28-6)22(20)29-7/h8-10,12,16H,11H2,1-7H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one?
3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one has a molecular weight of 400.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 19752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).