1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one

C19H22O3 — CID 123161205

IUPAC1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H22O3/c1-13-9-10-14(2)18(11-13)22-12-16-7-5-6-8-17(16)19(21-4)15(3)20/h5-11,19H,12H2,1-4H3
InChIKeyBDZPFGRCKSBSNZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.16
Rot. Bonds6

About 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one (PubChem CID 123161205) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
PubChem CID123161205
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H22O3/c1-13-9-10-14(2)18(11-13)22-12-16-7-5-6-8-17(16)19(21-4)15(3)20/h5-11,19H,12H2,1-4H3
InChIKeyBDZPFGRCKSBSNZ-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113511
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-nitroacetic acid
CID 139703544
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
methyl (Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]but-2-enoate
CID 11758709

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one?
The IUPAC name of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one (CID 123161205) is 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one?
The canonical SMILES for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one is COC(C(C)=O)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one?
The InChIKey is BDZPFGRCKSBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-13-9-10-14(2)18(11-13)22-12-16-7-5-6-8-17(16)19(21-4)15(3)20/h5-11,19H,12H2,1-4H3.
What are the key properties of 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one?
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one has a molecular weight of 298.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one is sourced from PubChem (CID 123161205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).