1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine

C74H107N5O4S — CID 159979499

IUPAC1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine
SMILESCC(C)Cc1ccc(O)cc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1nccs1.CC(C)c1ccncc1.COc1cc(CC(C)C)cc(OC)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)nc1
InChIInChI=1S/C12H18O2.2C10H14O.3C9H13N.C8H11N.C7H11NS/c1-9(2)5-10-6-11(13-3)8-12(7-10)14-4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h6-9H,5H2,1-4H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyOFOOQWSMQFPZBU-UHFFFAOYSA-N
MW1162.77 g/mol
LogP19.93
Rot. Bonds16

About 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine

1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine (PubChem CID 159979499) has the molecular formula C74H107N5O4S and a molecular weight of 1162.77 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine
PubChem CID159979499
Molecular FormulaC74H107N5O4S
Molecular Weight1162.77 g/mol
Exact Mass1161.80
IUPAC Name1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine
SMILESCC(C)Cc1ccc(O)cc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1nccs1.CC(C)c1ccncc1.COc1cc(CC(C)C)cc(OC)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)nc1
InChIInChI=1S/C12H18O2.2C10H14O.3C9H13N.C8H11N.C7H11NS/c1-9(2)5-10-6-11(13-3)8-12(7-10)14-4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h6-9H,5H2,1-4H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3
InChIKeyOFOOQWSMQFPZBU-UHFFFAOYSA-N
XLogP19.93
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.77
LogP ≤ 519.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine with MolForge

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Related Compounds

cumene;methane;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene
CID 158878620
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
2-ethyl-4-propan-2-ylpyridine;3-(2-methylpropyl)pyridine;4-propan-2-ylpyridine
CID 172607147
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
4-(1-dimethoxyphosphoryl-2-pyridin-3-ylethyl)-2-methoxy-6-methylphenol
CID 87871788
1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-(3-propan-2-ylphenyl)pyridine
CID 158741701
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
2-[2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylpropyl]pyridine
CID 57042062

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine?
The IUPAC name of 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine (CID 159979499) is 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine.
What is the SMILES notation for 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine?
The canonical SMILES for 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine is CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1nccs1.CC(C)c1ccncc1.COc1cc(CC(C)C)cc(OC)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)nc1.
What is the InChIKey of 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine?
The InChIKey is OFOOQWSMQFPZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.2C10H14O.3C9H13N.C8H11N.C7H11NS/c1-9(2)5-10-6-11(13-3)8-12(7-10)14-4;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)9-5-4-8(3)6-10-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)5-7-8-3-4-9-7/h6-9H,5H2,1-4H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-7H,1-2H3;3-4,6H,5H2,1-2H3.
What are the key properties of 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine?
1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine has a molecular weight of 1162.77 g/mol, XLogP of 19.93, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-methylpropyl)benzene;1-methoxy-2-propan-2-ylbenzene;5-methyl-2-propan-2-ylpyridine;4-(2-methylpropyl)phenol;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-propan-2-ylpyridine is sourced from PubChem (CID 159979499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).