1,3-dimethyl-2-propoxybenzene

C11H16O — CID 579040

IUPAC1,3-dimethyl-2-propoxybenzene
SMILESCCCOc1c(C)cccc1C
InChIInChI=1S/C11H16O/c1-4-8-12-11-9(2)6-5-7-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyORWYJYFTKGSHEU-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.09
Rot. Bonds3

About 1,3-dimethyl-2-propoxybenzene

1,3-dimethyl-2-propoxybenzene (PubChem CID 579040) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,3-dimethyl-2-propoxybenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-propoxybenzene
PubChem CID579040
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1,3-dimethyl-2-propoxybenzene
SMILESCCCOc1c(C)cccc1C
InChIInChI=1S/C11H16O/c1-4-8-12-11-9(2)6-5-7-10(11)3/h5-7H,4,8H2,1-3H3
InChIKeyORWYJYFTKGSHEU-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-methyl-2-propoxybenzene
CID 58352154
ethane;3-methyl-2-propoxyphenol
CID 143473467
2-decoxy-1,3-dimethylbenzene
CID 83057478
propyl 3-(2,6-dimethylphenoxy)propanoate
CID 78862887
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
1-methyl-3-propoxy-2-(trifluoromethoxy)benzene
CID 118268763
2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
CID 163214352

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-propoxybenzene?
The IUPAC name of 1,3-dimethyl-2-propoxybenzene (CID 579040) is 1,3-dimethyl-2-propoxybenzene.
What is the SMILES notation for 1,3-dimethyl-2-propoxybenzene?
The canonical SMILES for 1,3-dimethyl-2-propoxybenzene is CCCOc1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-propoxybenzene?
The InChIKey is ORWYJYFTKGSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-8-12-11-9(2)6-5-7-10(11)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-propoxybenzene?
1,3-dimethyl-2-propoxybenzene has a molecular weight of 164.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-propoxybenzene is sourced from PubChem (CID 579040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).