2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene

C14H22O2 — CID 13056323

IUPAC2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
SMILESCOc1ccc(OC(C)C)cc1C(C)(C)C
InChIInChI=1S/C14H22O2/c1-10(2)16-11-7-8-13(15-6)12(9-11)14(3,4)5/h7-10H,1-6H3
InChIKeyRQOGSWNZGJXLSI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.78
Rot. Bonds3

About 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene

2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene (PubChem CID 13056323) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
PubChem CID13056323
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
SMILESCOc1ccc(OC(C)C)cc1C(C)(C)C
InChIInChI=1S/C14H22O2/c1-10(2)16-11-7-8-13(15-6)12(9-11)14(3,4)5/h7-10H,1-6H3
InChIKeyRQOGSWNZGJXLSI-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-propan-2-yloxyaniline
CID 10081024
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
CID 88575410
CID 88575410
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397828
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
2-tert-butyl-4-[(Z)-hept-4-en-2-yl]-1-methoxybenzene
CID 83936789
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
1-(3-tert-butyl-4-methoxyphenyl)-3-methylbutane-1,2-dione
CID 94693468
(4-bromo-2-tert-butylphenyl) 4-propan-2-yloxybenzoate
CID 17074482

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene?
The IUPAC name of 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene (CID 13056323) is 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene.
What is the SMILES notation for 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene?
The canonical SMILES for 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene is COc1ccc(OC(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene?
The InChIKey is RQOGSWNZGJXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)16-11-7-8-13(15-6)12(9-11)14(3,4)5/h7-10H,1-6H3.
What are the key properties of 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene?
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene has a molecular weight of 222.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene is sourced from PubChem (CID 13056323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).