1-tert-butyl-2-methyl-4-propoxybenzene

C14H22O — CID 170076191

IUPAC1-tert-butyl-2-methyl-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-6-9-15-12-7-8-13(11(2)10-12)14(3,4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyGPQLFDKCTVPUMS-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.08
Rot. Bonds3

About 1-tert-butyl-2-methyl-4-propoxybenzene

1-tert-butyl-2-methyl-4-propoxybenzene (PubChem CID 170076191) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-4-propoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-4-propoxybenzene
PubChem CID170076191
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-tert-butyl-2-methyl-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)C)c(C)c1
InChIInChI=1S/C14H22O/c1-6-9-15-12-7-8-13(11(2)10-12)14(3,4)5/h7-8,10H,6,9H2,1-5H3
InChIKeyGPQLFDKCTVPUMS-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-propoxy-2-(trifluoromethyl)benzene
CID 20605028
1,2-dimethyl-4-propoxybenzene
CID 23549082
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CID 123715376
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
2-methyl-1-nitroso-4-propoxybenzene
CID 88930655
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2-methyl-4-propoxybenzoyl chloride
CID 82631959
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
3-tert-butyl-N-methyl-6-propoxyquinolin-2-amine
CID 63385933
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-4-propoxybenzene?
The IUPAC name of 1-tert-butyl-2-methyl-4-propoxybenzene (CID 170076191) is 1-tert-butyl-2-methyl-4-propoxybenzene.
What is the SMILES notation for 1-tert-butyl-2-methyl-4-propoxybenzene?
The canonical SMILES for 1-tert-butyl-2-methyl-4-propoxybenzene is CCCOc1ccc(C(C)(C)C)c(C)c1.
What is the InChIKey of 1-tert-butyl-2-methyl-4-propoxybenzene?
The InChIKey is GPQLFDKCTVPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-9-15-12-7-8-13(11(2)10-12)14(3,4)5/h7-8,10H,6,9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-methyl-4-propoxybenzene?
1-tert-butyl-2-methyl-4-propoxybenzene has a molecular weight of 206.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-4-propoxybenzene is sourced from PubChem (CID 170076191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).