1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole

C24H33NO2 — CID 163892764

IUPAC1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
SMILESCOc1ccc(C(C)C)cc1OC.Cc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C13H17N.C11H16O2/c1-9(2)11-5-6-13-12(7-11)10(3)8-14(13)4;1-8(2)9-5-6-10(12-3)11(7-9)13-4/h5-9H,1-4H3;5-8H,1-4H3
InChIKeyQCZGIZCVHDDZHG-UHFFFAOYSA-N
MW367.53 g/mol
LogP6.44
Rot. Bonds4

About 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole

1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole (PubChem CID 163892764) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole.

Molecular Properties

Compound Name1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
PubChem CID163892764
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
SMILESCOc1ccc(C(C)C)cc1OC.Cc1cn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C13H17N.C11H16O2/c1-9(2)11-5-6-13-12(7-11)10(3)8-14(13)4;1-8(2)9-5-6-10(12-3)11(7-9)13-4/h5-9H,1-4H3;5-8H,1-4H3
InChIKeyQCZGIZCVHDDZHG-UHFFFAOYSA-N
XLogP6.44
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716
3-methyl-1,5-di(propan-2-yl)indole
CID 176559687
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-(1,3-dimethylindol-5-yl)ethanethione;hydrazine
CID 91201716
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
CID 178177819
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole?
The IUPAC name of 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole (CID 163892764) is 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole.
What is the SMILES notation for 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole?
The canonical SMILES for 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole is COc1ccc(C(C)C)cc1OC.Cc1cn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole?
The InChIKey is QCZGIZCVHDDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C11H16O2/c1-9(2)11-5-6-13-12(7-11)10(3)8-14(13)4;1-8(2)9-5-6-10(12-3)11(7-9)13-4/h5-9H,1-4H3;5-8H,1-4H3.
What are the key properties of 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole?
1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole has a molecular weight of 367.53 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole is sourced from PubChem (CID 163892764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).