1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol

C25H38O3 — CID 171512659

IUPAC1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCC(C)COCCOCCO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C8H18O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-8(2)7-11-6-5-10-4-3-9/h5-12H,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyNFIKCVRUKDWPPP-UHFFFAOYSA-N
MW386.58 g/mol
LogP5.30
Rot. Bonds9

About 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol

1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol (PubChem CID 171512659) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
PubChem CID171512659
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol
SMILESCC(C)COCCOCCO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20.C8H18O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-8(2)7-11-6-5-10-4-3-9/h5-12H,1-4H3;8-9H,3-7H2,1-2H3
InChIKeyNFIKCVRUKDWPPP-UHFFFAOYSA-N
XLogP5.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
1,3-dimethoxypropan-2-ol;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159253549
2-[2-[2-[4-[2-[4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 90381443
(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 90381423
2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 176854878
1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol;4-methylbenzenesulfonic acid
CID 158908873
ethane;2-[2-(4-methylphenyl)propan-2-yloxy]ethanol
CID 177334034
2-[2-[2-methoxy-2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethanol
CID 69492718
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-[2-[2-hydroxy-3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propoxy]ethoxy]ethyl 2-(2,3-dihydroxypropylsulfanyl)propanoate
CID 165072536

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol?
The IUPAC name of 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol (CID 171512659) is 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol.
What is the SMILES notation for 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol?
The canonical SMILES for 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol is CC(C)COCCOCCO.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol?
The InChIKey is NFIKCVRUKDWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C8H18O3/c1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-8(2)7-11-6-5-10-4-3-9/h5-12H,1-4H3;8-9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol?
1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol has a molecular weight of 386.58 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-[2-(2-methylpropoxy)ethoxy]ethanol is sourced from PubChem (CID 171512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).