1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride

C10H16Cl2O2 — CID 172845974

IUPAC1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
SMILESCOc1cc(C)c(OC)cc1C.Cl.Cl
InChIInChI=1S/C10H14O2.2ClH/c1-7-5-10(12-4)8(2)6-9(7)11-3;;/h5-6H,1-4H3;2*1H
InChIKeyXKRQETFNULLYPZ-UHFFFAOYSA-N
MW239.14 g/mol
LogP3.16
Rot. Bonds2

About 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride

1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride (PubChem CID 172845974) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride.

Molecular Properties

Compound Name1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
PubChem CID172845974
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
SMILESCOc1cc(C)c(OC)cc1C.Cl.Cl
InChIInChI=1S/C10H14O2.2ClH/c1-7-5-10(12-4)8(2)6-9(7)11-3;;/h5-6H,1-4H3;2*1H
InChIKeyXKRQETFNULLYPZ-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
bis(4-methoxy-2,5-dimethylphenyl)phosphane;hydrochloride
CID 175501577
1-bromo-4-methoxy-2,5-dimethylbenzene;hydrobromide
CID 157211395
bis(4-methoxy-2,5-dimethylphenyl)phosphane
CID 175501578
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride?
The IUPAC name of 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride (CID 172845974) is 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride.
What is the SMILES notation for 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride?
The canonical SMILES for 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride is COc1cc(C)c(OC)cc1C.Cl.Cl.
What is the InChIKey of 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride?
The InChIKey is XKRQETFNULLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.2ClH/c1-7-5-10(12-4)8(2)6-9(7)11-3;;/h5-6H,1-4H3;2*1H.
What are the key properties of 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride?
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride has a molecular weight of 239.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride is sourced from PubChem (CID 172845974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).