1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

C24H34O2 — CID 134204316

IUPAC1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OCCc1cccc(CC(C)(C)OCCc2ccccc2)c1
InChIInChI=1S/C24H34O2/c1-23(2,3)25-16-15-21-12-9-13-22(18-21)19-24(4,5)26-17-14-20-10-7-6-8-11-20/h6-13,18H,14-17,19H2,1-5H3
InChIKeyHFNDAHPRRMLJLS-UHFFFAOYSA-N
MW354.53 g/mol
LogP5.62
Rot. Bonds9

About 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (PubChem CID 134204316) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.

Molecular Properties

Compound Name1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
PubChem CID134204316
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCC(C)(C)OCCc1cccc(CC(C)(C)OCCc2ccccc2)c1
InChIInChI=1S/C24H34O2/c1-23(2,3)25-16-15-21-12-9-13-22(18-21)19-24(4,5)26-17-14-20-10-7-6-8-11-20/h6-13,18H,14-17,19H2,1-5H3
InChIKeyHFNDAHPRRMLJLS-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
CID 114998432
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene
CID 155935168
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine
CID 20768993
1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)ethyl]benzene
CID 167413999
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954
2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 62354830
3-[2-(2-methylbutan-2-yloxy)ethyl]benzoate
CID 58667277
2-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The IUPAC name of 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (CID 134204316) is 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.
What is the SMILES notation for 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The canonical SMILES for 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is CC(C)(C)OCCc1cccc(CC(C)(C)OCCc2ccccc2)c1.
What is the InChIKey of 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The InChIKey is HFNDAHPRRMLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-23(2,3)25-16-15-21-12-9-13-22(18-21)19-24(4,5)26-17-14-20-10-7-6-8-11-20/h6-13,18H,14-17,19H2,1-5H3.
What are the key properties of 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene has a molecular weight of 354.53 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(2-phenylethoxy)propyl]-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is sourced from PubChem (CID 134204316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).