1,2-dimethoxy-4-propylbenzene;methane

C12H20O2 — CID 159623020

IUPAC1,2-dimethoxy-4-propylbenzene;methane
SMILESC.CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16O2.CH4/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyMODCTGDMNNJAEX-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.29
Rot. Bonds4

About 1,2-dimethoxy-4-propylbenzene;methane

1,2-dimethoxy-4-propylbenzene;methane (PubChem CID 159623020) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,2-dimethoxy-4-propylbenzene;methane.

Molecular Properties

Compound Name1,2-dimethoxy-4-propylbenzene;methane
PubChem CID159623020
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,2-dimethoxy-4-propylbenzene;methane
SMILESC.CCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C11H16O2.CH4/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyMODCTGDMNNJAEX-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
1-iodo-2-methoxy-4-propylbenzene
CID 118402577
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-methoxy-1-methylsulfanyl-4-propylbenzene
CID 91881478
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
bis[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 5715

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-propylbenzene;methane?
The IUPAC name of 1,2-dimethoxy-4-propylbenzene;methane (CID 159623020) is 1,2-dimethoxy-4-propylbenzene;methane.
What is the SMILES notation for 1,2-dimethoxy-4-propylbenzene;methane?
The canonical SMILES for 1,2-dimethoxy-4-propylbenzene;methane is C.CCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-propylbenzene;methane?
The InChIKey is MODCTGDMNNJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.CH4/c1-4-5-9-6-7-10(12-2)11(8-9)13-3;/h6-8H,4-5H2,1-3H3;1H4.
What are the key properties of 1,2-dimethoxy-4-propylbenzene;methane?
1,2-dimethoxy-4-propylbenzene;methane has a molecular weight of 196.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-propylbenzene;methane is sourced from PubChem (CID 159623020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).