2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene

C28H40O3 — CID 143595124

IUPAC2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(Oc2ccccc2)cc1.COc1ccc(C)c(OC)c1
InChIInChI=1S/C15H16O.C9H12O2.2C2H6/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-7-4-5-8(10-2)6-9(7)11-3;2*1-2/h3-12H,1-2H3;4-6H,1-3H3;2*1-2H3
InChIKeyOUWHYMNPTSTOOX-UHFFFAOYSA-N
MW424.63 g/mol
LogP8.67
Rot. Bonds5

About 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene

2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene (PubChem CID 143595124) has the molecular formula C28H40O3 and a molecular weight of 424.63 g/mol. Its IUPAC name is 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
PubChem CID143595124
Molecular FormulaC28H40O3
Molecular Weight424.63 g/mol
Exact Mass424.30
IUPAC Name2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(Oc2ccccc2)cc1.COc1ccc(C)c(OC)c1
InChIInChI=1S/C15H16O.C9H12O2.2C2H6/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-7-4-5-8(10-2)6-9(7)11-3;2*1-2/h3-12H,1-2H3;4-6H,1-3H3;2*1-2H3
InChIKeyOUWHYMNPTSTOOX-UHFFFAOYSA-N
XLogP8.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-methyl-4-(1-phenylethyl)benzene
CID 57234669
1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene
CID 158244834
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
1,4-di(propan-2-yl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene
CID 159090992
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene?
The IUPAC name of 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene (CID 143595124) is 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene?
The canonical SMILES for 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene is CC.CC.CC(C)c1ccc(Oc2ccccc2)cc1.COc1ccc(C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene?
The InChIKey is OUWHYMNPTSTOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C9H12O2.2C2H6/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-7-4-5-8(10-2)6-9(7)11-3;2*1-2/h3-12H,1-2H3;4-6H,1-3H3;2*1-2H3.
What are the key properties of 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene?
2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene has a molecular weight of 424.63 g/mol, XLogP of 8.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-methylbenzene;ethane;1-phenoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 143595124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).