1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene

C16H24O — CID 58980632

IUPAC1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
SMILESCOc1c(C)cc(C2(C)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H24O/c1-11-9-12(16(5)7-8-16)10-13(14(11)17-6)15(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyCJUOHABKUUBIOF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.35
Rot. Bonds2

About 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene

1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene (PubChem CID 58980632) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
PubChem CID58980632
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene
SMILESCOc1c(C)cc(C2(C)CC2)cc1C(C)(C)C
InChIInChI=1S/C16H24O/c1-11-9-12(16(5)7-8-16)10-13(14(11)17-6)15(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyCJUOHABKUUBIOF-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene?
The IUPAC name of 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene (CID 58980632) is 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene?
The canonical SMILES for 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene is COc1c(C)cc(C2(C)CC2)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene?
The InChIKey is CJUOHABKUUBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-9-12(16(5)7-8-16)10-13(14(11)17-6)15(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene?
1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxy-3-methyl-5-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 58980632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).