1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene

C24H32N2O3 — CID 145386274

IUPAC1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene
SMILESCCc1ccc(OC)cc1.CCc1cnc(OC)nc1.COc1ccc(C)cc1
InChIInChI=1S/C9H12O.C8H10O.C7H10N2O/c1-3-8-4-6-9(10-2)7-5-8;1-7-3-5-8(9-2)6-4-7;1-3-6-4-8-7(10-2)9-5-6/h4-7H,3H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3
InChIKeyFPTGAUDLHUEYDO-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.31
Rot. Bonds5

About 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene

1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene (PubChem CID 145386274) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene
PubChem CID145386274
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene
SMILESCCc1ccc(OC)cc1.CCc1cnc(OC)nc1.COc1ccc(C)cc1
InChIInChI=1S/C9H12O.C8H10O.C7H10N2O/c1-3-8-4-6-9(10-2)7-5-8;1-7-3-5-8(9-2)6-4-7;1-3-6-4-8-7(10-2)9-5-6/h4-7H,3H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3
InChIKeyFPTGAUDLHUEYDO-UHFFFAOYSA-N
XLogP5.31
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
5-ethyl-2-methoxypyrimidine
CID 20754775
1-methoxy-4-methylbenzene;propane
CID 142064987
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
anisole;ethane;ethylbenzene;toluene
CID 91215230
1-[(4-methoxyphenyl)methyl]-4-[1-[(4-methylphenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 129061302
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene?
The IUPAC name of 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene (CID 145386274) is 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene.
What is the SMILES notation for 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene?
The canonical SMILES for 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene is CCc1ccc(OC)cc1.CCc1cnc(OC)nc1.COc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene?
The InChIKey is FPTGAUDLHUEYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H10O.C7H10N2O/c1-3-8-4-6-9(10-2)7-5-8;1-7-3-5-8(9-2)6-4-7;1-3-6-4-8-7(10-2)9-5-6/h4-7H,3H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene?
1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene has a molecular weight of 396.53 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxybenzene;5-ethyl-2-methoxypyrimidine;1-methoxy-4-methylbenzene is sourced from PubChem (CID 145386274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).