1,4-dimethoxybenzene;ethane;methane;1,4-xylene

C21H36O2 — CID 161140185

IUPAC1,4-dimethoxybenzene;ethane;methane;1,4-xylene
SMILESC.CC.CC.COc1ccc(OC)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10O2.C8H10.2C2H6.CH4/c1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-2;/h3-6H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyUNILIXAHWJMBDH-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.70
Rot. Bonds2

About 1,4-dimethoxybenzene;ethane;methane;1,4-xylene

1,4-dimethoxybenzene;ethane;methane;1,4-xylene (PubChem CID 161140185) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1,4-dimethoxybenzene;ethane;methane;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethoxybenzene;ethane;methane;1,4-xylene
PubChem CID161140185
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name1,4-dimethoxybenzene;ethane;methane;1,4-xylene
SMILESC.CC.CC.COc1ccc(OC)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C8H10O2.C8H10.2C2H6.CH4/c1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-2;/h3-6H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4
InChIKeyUNILIXAHWJMBDH-UHFFFAOYSA-N
XLogP6.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-methoxy-4-methylbenzene;propane
CID 142064987
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
4-methoxyphenol;4-methylphenol
CID 158312507
anisole;ethane;methane;toluene
CID 162203446
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzene;ethane;methane;1,4-xylene?
The IUPAC name of 1,4-dimethoxybenzene;ethane;methane;1,4-xylene (CID 161140185) is 1,4-dimethoxybenzene;ethane;methane;1,4-xylene.
What is the SMILES notation for 1,4-dimethoxybenzene;ethane;methane;1,4-xylene?
The canonical SMILES for 1,4-dimethoxybenzene;ethane;methane;1,4-xylene is C.CC.CC.COc1ccc(OC)cc1.Cc1ccc(C)cc1.
What is the InChIKey of 1,4-dimethoxybenzene;ethane;methane;1,4-xylene?
The InChIKey is UNILIXAHWJMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C8H10.2C2H6.CH4/c1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;2*1-2;/h3-6H,1-2H3;3-6H,1-2H3;2*1-2H3;1H4.
What are the key properties of 1,4-dimethoxybenzene;ethane;methane;1,4-xylene?
1,4-dimethoxybenzene;ethane;methane;1,4-xylene has a molecular weight of 320.52 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxybenzene;ethane;methane;1,4-xylene is sourced from PubChem (CID 161140185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).