1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene

C14H22O2 — CID 173207102

IUPAC1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
SMILESCOc1c(C(C)(C)C)cc(C)c(C)c1OC
InChIInChI=1S/C14H22O2/c1-9-8-11(14(3,4)5)13(16-7)12(15-6)10(9)2/h8H,1-7H3
InChIKeyPDXGZCWJRIOJCO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.62
Rot. Bonds2

About 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene

1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene (PubChem CID 173207102) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
PubChem CID173207102
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
SMILESCOc1c(C(C)(C)C)cc(C)c(C)c1OC
InChIInChI=1S/C14H22O2/c1-9-8-11(14(3,4)5)13(16-7)12(15-6)10(9)2/h8H,1-7H3
InChIKeyPDXGZCWJRIOJCO-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54497007
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CID 101460863
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
1-tert-butyl-2-methoxy-3,4-dimethylbenzene;propane;hydrate
CID 176957976
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
(3,5-ditert-butyl-4-methoxyphenyl)-methylsilane
CID 123380319
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
CID 58980632
1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
CID 89220964
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene?
The IUPAC name of 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene (CID 173207102) is 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene is COc1c(C(C)(C)C)cc(C)c(C)c1OC.
What is the InChIKey of 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene?
The InChIKey is PDXGZCWJRIOJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-8-11(14(3,4)5)13(16-7)12(15-6)10(9)2/h8H,1-7H3.
What are the key properties of 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene?
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene is sourced from PubChem (CID 173207102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).