1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene

C22H28O6 — CID 155512923

IUPAC1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene
SMILESCOc1cc(OC)c([C@H]2CC[C@H]2c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28O6/c1-23-13-9-17(25-3)21(18(10-13)26-4)15-7-8-16(15)22-19(27-5)11-14(24-2)12-20(22)28-6/h9-12,15-16H,7-8H2,1-6H3/t15-,16+
InChIKeyUSQVABGTLLYGDN-IYBDPMFKSA-N
MW388.46 g/mol
LogP4.40
Rot. Bonds8

About 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene

1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene (PubChem CID 155512923) has the molecular formula C22H28O6 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene
PubChem CID155512923
Molecular FormulaC22H28O6
Molecular Weight388.46 g/mol
Exact Mass388.19
IUPAC Name1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene
SMILESCOc1cc(OC)c([C@H]2CC[C@H]2c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28O6/c1-23-13-9-17(25-3)21(18(10-13)26-4)15-7-8-16(15)22-19(27-5)11-14(24-2)12-20(22)28-6/h9-12,15-16H,7-8H2,1-6H3/t15-,16+
InChIKeyUSQVABGTLLYGDN-IYBDPMFKSA-N
XLogP4.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene (CID 155512923) is 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene is COc1cc(OC)c([C@H]2CC[C@H]2c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene?
The InChIKey is USQVABGTLLYGDN-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H28O6/c1-23-13-9-17(25-3)21(18(10-13)26-4)15-7-8-16(15)22-19(27-5)11-14(24-2)12-20(22)28-6/h9-12,15-16H,7-8H2,1-6H3/t15-,16+.
What are the key properties of 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene?
1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene has a molecular weight of 388.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene is sourced from PubChem (CID 155512923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).