butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene

C22H32O2 — CID 142999553

IUPACbutan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
SMILESCC.CCC(C)=O.COCc1cc(C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C16H18O.C4H8O.C2H6/c1-12-4-7-14(8-5-12)16-9-6-13(2)10-15(16)11-17-3;1-3-4(2)5;1-2/h4-10H,11H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyAGWSMZYJVZBPFX-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.13
Rot. Bonds4

About butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene

butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene (PubChem CID 142999553) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene.

Molecular Properties

Compound Namebutan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
PubChem CID142999553
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Namebutan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
SMILESCC.CCC(C)=O.COCc1cc(C)ccc1-c1ccc(C)cc1
InChIInChI=1S/C16H18O.C4H8O.C2H6/c1-12-4-7-14(8-5-12)16-9-6-13(2)10-15(16)11-17-3;1-3-4(2)5;1-2/h4-10H,11H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyAGWSMZYJVZBPFX-UHFFFAOYSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(methoxymethyl)-4-(4-methylphenyl)phenyl]phenyl]methanol
CID 145122079
4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
CID 142421465
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
CID 70876710
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol
CID 145122947
2-[4-[2-(methoxymethyl)-4-methylphenyl]-3-methylphenyl]ethanol
CID 145122544
2-(chloromethyl)-4-methyl-1-(4-methylphenyl)benzene;ethane
CID 178006479
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]propanamide
CID 70876708
[2-(4-fluorophenyl)-5-methylphenyl]methyl-methoxyphosphinic acid
CID 72735911

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene?
The IUPAC name of butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene (CID 142999553) is butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene.
What is the SMILES notation for butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene?
The canonical SMILES for butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene is CC.CCC(C)=O.COCc1cc(C)ccc1-c1ccc(C)cc1.
What is the InChIKey of butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene?
The InChIKey is AGWSMZYJVZBPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C4H8O.C2H6/c1-12-4-7-14(8-5-12)16-9-6-13(2)10-15(16)11-17-3;1-3-4(2)5;1-2/h4-10H,11H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene?
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene has a molecular weight of 328.50 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene is sourced from PubChem (CID 142999553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).