1-butan-2-yloxy-2,4-dimethylbenzene;ethane

C14H24O — CID 142890016

IUPAC1-butan-2-yloxy-2,4-dimethylbenzene;ethane
SMILESCC.CCC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C12H18O.C2H6/c1-5-11(4)13-12-7-6-9(2)8-10(12)3;1-2/h6-8,11H,5H2,1-4H3;1-2H3
InChIKeyBOQWLXVWVCETFM-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.51
Rot. Bonds3

About 1-butan-2-yloxy-2,4-dimethylbenzene;ethane

1-butan-2-yloxy-2,4-dimethylbenzene;ethane (PubChem CID 142890016) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-butan-2-yloxy-2,4-dimethylbenzene;ethane.

Molecular Properties

Compound Name1-butan-2-yloxy-2,4-dimethylbenzene;ethane
PubChem CID142890016
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-butan-2-yloxy-2,4-dimethylbenzene;ethane
SMILESCC.CCC(C)Oc1ccc(C)cc1C
InChIInChI=1S/C12H18O.C2H6/c1-5-11(4)13-12-7-6-9(2)8-10(12)3;1-2/h6-8,11H,5H2,1-4H3;1-2H3
InChIKeyBOQWLXVWVCETFM-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butan-2-yloxy-2,4-dimethylbenzene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
4-(2,4-dimethylphenoxy)-N-methylpentan-2-amine
CID 64707879
(2-butan-2-yloxy-5-methylphenyl)-trifluoroboranuide
CID 63678318
2-butan-2-yloxy-5-methylbenzoic acid
CID 61379818
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 71021796
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
2-amino-4-(2,4-dimethylphenoxy)-2-methylpentan-1-ol
CID 64802229

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2,4-dimethylbenzene;ethane?
The IUPAC name of 1-butan-2-yloxy-2,4-dimethylbenzene;ethane (CID 142890016) is 1-butan-2-yloxy-2,4-dimethylbenzene;ethane.
What is the SMILES notation for 1-butan-2-yloxy-2,4-dimethylbenzene;ethane?
The canonical SMILES for 1-butan-2-yloxy-2,4-dimethylbenzene;ethane is CC.CCC(C)Oc1ccc(C)cc1C.
What is the InChIKey of 1-butan-2-yloxy-2,4-dimethylbenzene;ethane?
The InChIKey is BOQWLXVWVCETFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-5-11(4)13-12-7-6-9(2)8-10(12)3;1-2/h6-8,11H,5H2,1-4H3;1-2H3.
What are the key properties of 1-butan-2-yloxy-2,4-dimethylbenzene;ethane?
1-butan-2-yloxy-2,4-dimethylbenzene;ethane has a molecular weight of 208.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2,4-dimethylbenzene;ethane is sourced from PubChem (CID 142890016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).