4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene

C14H22O — CID 57274293

IUPAC4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
SMILESCCC(C)OC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22O/c1-6-12(4)15-13(5)14-8-7-10(2)11(3)9-14/h7-9,12-13H,6H2,1-5H3
InChIKeyFHXRVJNZJFQDTD-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.18
Rot. Bonds4

About 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene

4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene (PubChem CID 57274293) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
PubChem CID57274293
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene
SMILESCCC(C)OC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22O/c1-6-12(4)15-13(5)14-8-7-10(2)11(3)9-14/h7-9,12-13H,6H2,1-5H3
InChIKeyFHXRVJNZJFQDTD-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(3-methylpentan-2-yl)benzene
CID 54500357
2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
CID 67682143
1-(1-butan-2-yloxyethyl)-4-methoxybenzene
CID 101479468
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-(1-methoxypropyl)-1,2-dimethylbenzene
CID 54163976
[(1S)-1-(3,4-dimethylphenyl)propyl]azanium
CID 7176018
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanol
CID 63426275
2-(3,4-dimethylphenyl)-N-methylpentan-3-amine
CID 79307170
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648

Frequently Asked Questions

What is the IUPAC name of 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene (CID 57274293) is 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene is CCC(C)OC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene?
The InChIKey is FHXRVJNZJFQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-12(4)15-13(5)14-8-7-10(2)11(3)9-14/h7-9,12-13H,6H2,1-5H3.
What are the key properties of 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene?
4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butan-2-yloxyethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 57274293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).