1-tert-butyl-2-methoxy-3-propan-2-ylbenzene

C14H22O — CID 58817173

IUPAC1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cccc1C(C)(C)C
InChIInChI=1S/C14H22O/c1-10(2)11-8-7-9-12(13(11)15-6)14(3,4)5/h7-10H,1-6H3
InChIKeyAPEPVFIBHGMZTF-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.12
Rot. Bonds2

About 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene

1-tert-butyl-2-methoxy-3-propan-2-ylbenzene (PubChem CID 58817173) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
PubChem CID58817173
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
SMILESCOc1c(C(C)C)cccc1C(C)(C)C
InChIInChI=1S/C14H22O/c1-10(2)11-8-7-9-12(13(11)15-6)14(3,4)5/h7-10H,1-6H3
InChIKeyAPEPVFIBHGMZTF-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
CID 89220964
3-tert-butyl-2-methoxybenzonitrile
CID 10397629
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
3-tert-butyl-2-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 141057121
2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 84704413
2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
CID 118462786
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene?
The IUPAC name of 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene (CID 58817173) is 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene is COc1c(C(C)C)cccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene?
The InChIKey is APEPVFIBHGMZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)11-8-7-9-12(13(11)15-6)14(3,4)5/h7-10H,1-6H3.
What are the key properties of 1-tert-butyl-2-methoxy-3-propan-2-ylbenzene?
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.12, 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-propan-2-ylbenzene is sourced from PubChem (CID 58817173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).