1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene

C23H24O3 — CID 24807987

IUPAC1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
SMILESCOc1ccc(COc2ccccc2CCc2ccccc2)cc1OC
InChIInChI=1S/C23H24O3/c1-24-22-15-13-19(16-23(22)25-2)17-26-21-11-7-6-10-20(21)14-12-18-8-4-3-5-9-18/h3-11,13,15-16H,12,14,17H2,1-2H3
InChIKeyRDJHHXIXXHIBIA-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.07
Rot. Bonds8

About 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene

1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene (PubChem CID 24807987) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
PubChem CID24807987
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
SMILESCOc1ccc(COc2ccccc2CCc2ccccc2)cc1OC
InChIInChI=1S/C23H24O3/c1-24-22-15-13-19(16-23(22)25-2)17-26-21-11-7-6-10-20(21)14-12-18-8-4-3-5-9-18/h3-11,13,15-16H,12,14,17H2,1-2H3
InChIKeyRDJHHXIXXHIBIA-UHFFFAOYSA-N
XLogP5.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene (CID 24807987) is 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene is COc1ccc(COc2ccccc2CCc2ccccc2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
The InChIKey is RDJHHXIXXHIBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-24-22-15-13-19(16-23(22)25-2)17-26-21-11-7-6-10-20(21)14-12-18-8-4-3-5-9-18/h3-11,13,15-16H,12,14,17H2,1-2H3.
What are the key properties of 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene?
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene has a molecular weight of 348.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 24807987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).