1-methoxy-2,4-dimethylbenzene;propane

C12H20O — CID 54037455

IUPAC1-methoxy-2,4-dimethylbenzene;propane
SMILESCCC.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C3H8/c1-7-4-5-9(10-3)8(2)6-7;1-3-2/h4-6H,1-3H3;3H2,1-2H3
InChIKeyLJYVZBFYHIYZOQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.73
Rot. Bonds1

About 1-methoxy-2,4-dimethylbenzene;propane

1-methoxy-2,4-dimethylbenzene;propane (PubChem CID 54037455) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methoxy-2,4-dimethylbenzene;propane.

Molecular Properties

Compound Name1-methoxy-2,4-dimethylbenzene;propane
PubChem CID54037455
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-methoxy-2,4-dimethylbenzene;propane
SMILESCCC.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C3H8/c1-7-4-5-9(10-3)8(2)6-7;1-3-2/h4-6H,1-3H3;3H2,1-2H3
InChIKeyLJYVZBFYHIYZOQ-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
CID 174324695
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
CID 175002505
CID 175002505
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-dimethylbenzene;propane?
The IUPAC name of 1-methoxy-2,4-dimethylbenzene;propane (CID 54037455) is 1-methoxy-2,4-dimethylbenzene;propane.
What is the SMILES notation for 1-methoxy-2,4-dimethylbenzene;propane?
The canonical SMILES for 1-methoxy-2,4-dimethylbenzene;propane is CCC.COc1ccc(C)cc1C.
What is the InChIKey of 1-methoxy-2,4-dimethylbenzene;propane?
The InChIKey is LJYVZBFYHIYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H8/c1-7-4-5-9(10-3)8(2)6-7;1-3-2/h4-6H,1-3H3;3H2,1-2H3.
What are the key properties of 1-methoxy-2,4-dimethylbenzene;propane?
1-methoxy-2,4-dimethylbenzene;propane has a molecular weight of 180.29 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4-dimethylbenzene;propane is sourced from PubChem (CID 54037455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).