1-(3-methylbutan-2-yloxy)-4-propylbenzene

C14H22O — CID 147712786

IUPAC1-(3-methylbutan-2-yloxy)-4-propylbenzene
SMILESCCCc1ccc(OC(C)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h7-12H,5-6H2,1-4H3
InChIKeyGVASKVYKTPPRJF-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-methylbutan-2-yloxy)-4-propylbenzene

1-(3-methylbutan-2-yloxy)-4-propylbenzene (PubChem CID 147712786) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yloxy)-4-propylbenzene.

Molecular Properties

Compound Name1-(3-methylbutan-2-yloxy)-4-propylbenzene
PubChem CID147712786
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-(3-methylbutan-2-yloxy)-4-propylbenzene
SMILESCCCc1ccc(OC(C)C(C)C)cc1
InChIInChI=1S/C14H22O/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h7-12H,5-6H2,1-4H3
InChIKeyGVASKVYKTPPRJF-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583
3-(4-butylphenoxy)butan-2-ol
CID 115492969
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
CID 178142279
(4-propylphenyl) hypochlorite
CID 175330115
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
1-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yloxy)-4-propylbenzene?
The IUPAC name of 1-(3-methylbutan-2-yloxy)-4-propylbenzene (CID 147712786) is 1-(3-methylbutan-2-yloxy)-4-propylbenzene.
What is the SMILES notation for 1-(3-methylbutan-2-yloxy)-4-propylbenzene?
The canonical SMILES for 1-(3-methylbutan-2-yloxy)-4-propylbenzene is CCCc1ccc(OC(C)C(C)C)cc1.
What is the InChIKey of 1-(3-methylbutan-2-yloxy)-4-propylbenzene?
The InChIKey is GVASKVYKTPPRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-6-13-7-9-14(10-8-13)15-12(4)11(2)3/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-yloxy)-4-propylbenzene?
1-(3-methylbutan-2-yloxy)-4-propylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yloxy)-4-propylbenzene is sourced from PubChem (CID 147712786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).