5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene

C21H28O2 — CID 20693410

IUPAC5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
SMILESCOc1cc(C)c(C)c(C(C)(C)c2cc(OC)cc(C)c2C)c1
InChIInChI=1S/C21H28O2/c1-13-9-17(22-7)11-19(15(13)3)21(5,6)20-12-18(23-8)10-14(2)16(20)4/h9-12H,1-8H3
InChIKeyQIALFRWBIWLNPW-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.26
Rot. Bonds4

About 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene

5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene (PubChem CID 20693410) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
PubChem CID20693410
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
SMILESCOc1cc(C)c(C)c(C(C)(C)c2cc(OC)cc(C)c2C)c1
InChIInChI=1S/C21H28O2/c1-13-9-17(22-7)11-19(15(13)3)21(5,6)20-12-18(23-8)10-14(2)16(20)4/h9-12H,1-8H3
InChIKeyQIALFRWBIWLNPW-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
CID 117306060
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
CID 117300457
4-methoxy-2-methyl-6-(trifluoromethyl)aniline
CID 19842533
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
5-methoxy-N,2,3-trimethylaniline
CID 123380294
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
2,6-ditert-butyl-4-methoxyphenol
CID 10269
3-tert-butyl-5-methoxy-2-methylpyridine
CID 166004066
1-methoxy-2,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]benzene
CID 67518349
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene?
The IUPAC name of 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene (CID 20693410) is 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene.
What is the SMILES notation for 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene?
The canonical SMILES for 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene is COc1cc(C)c(C)c(C(C)(C)c2cc(OC)cc(C)c2C)c1.
What is the InChIKey of 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene?
The InChIKey is QIALFRWBIWLNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-13-9-17(22-7)11-19(15(13)3)21(5,6)20-12-18(23-8)10-14(2)16(20)4/h9-12H,1-8H3.
What are the key properties of 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene?
5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene has a molecular weight of 312.45 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene is sourced from PubChem (CID 20693410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).