1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene

C24H39FO2 — CID 142488537

IUPAC1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
SMILESCC.CC.COc1cccc(F)c1C.Cc1cccc(OCC(C)C)c1C
InChIInChI=1S/C12H18O.C8H9FO.2C2H6/c1-9(2)8-13-12-7-5-6-10(3)11(12)4;1-6-7(9)4-3-5-8(6)10-2;2*1-2/h5-7,9H,8H2,1-4H3;3-5H,1-2H3;2*1-2H3
InChIKeyONZHBOOUZRGGEW-UHFFFAOYSA-N
MW378.57 g/mol
LogP7.53
Rot. Bonds4

About 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene

1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene (PubChem CID 142488537) has the molecular formula C24H39FO2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
PubChem CID142488537
Molecular FormulaC24H39FO2
Molecular Weight378.57 g/mol
Exact Mass378.29
IUPAC Name1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene
SMILESCC.CC.COc1cccc(F)c1C.Cc1cccc(OCC(C)C)c1C
InChIInChI=1S/C12H18O.C8H9FO.2C2H6/c1-9(2)8-13-12-7-5-6-10(3)11(12)4;1-6-7(9)4-3-5-8(6)10-2;2*1-2/h5-7,9H,8H2,1-4H3;3-5H,1-2H3;2*1-2H3
InChIKeyONZHBOOUZRGGEW-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.57
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
CID 123645398
CID 123645398
3-(2,3-dimethylphenoxy)-2-methylpropanenitrile
CID 43367428
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
1,2-dimethyl-3-(4-methylpentoxy)benzene
CID 103432295
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2,6-dimethylaniline
CID 39455831
2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-2,3-dimethylbenzene
CID 65014456
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene?
The IUPAC name of 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene (CID 142488537) is 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene?
The canonical SMILES for 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene is CC.CC.COc1cccc(F)c1C.Cc1cccc(OCC(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene?
The InChIKey is ONZHBOOUZRGGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C8H9FO.2C2H6/c1-9(2)8-13-12-7-5-6-10(3)11(12)4;1-6-7(9)4-3-5-8(6)10-2;2*1-2/h5-7,9H,8H2,1-4H3;3-5H,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene?
1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene has a molecular weight of 378.57 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-methylpropoxy)benzene;ethane;1-fluoro-3-methoxy-2-methylbenzene is sourced from PubChem (CID 142488537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).