methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene

C27H44O — CID 158966469

IUPACmethane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
SMILESC.COc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C13H20O.C13H20.CH4/c1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h6-10H,1-5H3;6-10H,1-5H3;1H4
InChIKeyJNGOFWXDNLSRLW-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.82
Rot. Bonds5

About methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene

methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene (PubChem CID 158966469) has the molecular formula C27H44O and a molecular weight of 384.65 g/mol. Its IUPAC name is methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Namemethane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
PubChem CID158966469
Molecular FormulaC27H44O
Molecular Weight384.65 g/mol
Exact Mass384.34
IUPAC Namemethane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
SMILESC.COc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C13H20O.C13H20.CH4/c1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h6-10H,1-5H3;6-10H,1-5H3;1H4
InChIKeyJNGOFWXDNLSRLW-UHFFFAOYSA-N
XLogP8.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716
1,3-dimethyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene
CID 158784558
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
CID 116939012

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene?
The IUPAC name of methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene (CID 158966469) is methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene.
What is the SMILES notation for methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene?
The canonical SMILES for methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene is C.COc1ccc(C(C)C)cc1C(C)C.Cc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene?
The InChIKey is JNGOFWXDNLSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C13H20.CH4/c1-9(2)11-6-7-13(14-5)12(8-11)10(3)4;1-9(2)12-7-6-11(5)13(8-12)10(3)4;/h6-10H,1-5H3;6-10H,1-5H3;1H4.
What are the key properties of methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene?
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene has a molecular weight of 384.65 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene is sourced from PubChem (CID 158966469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).