1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene

C16H26O — CID 89220964

IUPAC1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C16H26O/c1-10(2)13-9-14(16(5,6)7)11(3)12(4)15(13)17-8/h9-10H,1-8H3
InChIKeyNSGDTFONQQEHDW-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.73
Rot. Bonds2

About 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene

1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene (PubChem CID 89220964) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
PubChem CID89220964
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cc(C(C)(C)C)c(C)c1C
InChIInChI=1S/C16H26O/c1-10(2)13-9-14(16(5,6)7)11(3)12(4)15(13)17-8/h9-10H,1-8H3
InChIKeyNSGDTFONQQEHDW-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene (CID 89220964) is 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene is COc1c(C(C)C)cc(C(C)(C)C)c(C)c1C.
What is the InChIKey of 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene?
The InChIKey is NSGDTFONQQEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10(2)13-9-14(16(5,6)7)11(3)12(4)15(13)17-8/h9-10H,1-8H3.
What are the key properties of 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene?
1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 89220964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).