1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene

C23H32O2 — CID 134343942

IUPAC1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1cccc(C(C)(C)COCCc2ccccc2)c1
InChIInChI=1S/C23H32O2/c1-19(2)16-25-17-21-11-8-12-22(15-21)23(3,4)18-24-14-13-20-9-6-5-7-10-20/h5-12,15,19H,13-14,16-18H2,1-4H3
InChIKeyITHYXEDFLLOUEH-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.40
Rot. Bonds10

About 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene

1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene (PubChem CID 134343942) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene
PubChem CID134343942
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1cccc(C(C)(C)COCCc2ccccc2)c1
InChIInChI=1S/C23H32O2/c1-19(2)16-25-17-21-11-8-12-22(15-21)23(3,4)18-24-14-13-20-9-6-5-7-10-20/h5-12,15,19H,13-14,16-18H2,1-4H3
InChIKeyITHYXEDFLLOUEH-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
3-methyl-3-[3-(phenylmethoxymethyl)phenyl]butanal
CID 139900892
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
CID 146243336
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
3-[3-(2-methylpropoxymethyl)phenyl]prop-2-enoic acid
CID 54974638
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene?
The IUPAC name of 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene (CID 134343942) is 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene.
What is the SMILES notation for 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene?
The canonical SMILES for 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene is CC(C)COCc1cccc(C(C)(C)COCCc2ccccc2)c1.
What is the InChIKey of 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene?
The InChIKey is ITHYXEDFLLOUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-19(2)16-25-17-21-11-8-12-22(15-21)23(3,4)18-24-14-13-20-9-6-5-7-10-20/h5-12,15,19H,13-14,16-18H2,1-4H3.
What are the key properties of 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene?
1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene has a molecular weight of 340.51 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2-phenylethoxy)propan-2-yl]-3-(2-methylpropoxymethyl)benzene is sourced from PubChem (CID 134343942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).