1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene

C23H32O2 — CID 135165102

IUPAC1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene
SMILESCC(C)(C)OCCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H32O2/c1-22(2,3)20-13-11-18(12-14-20)19-9-7-10-21(17-19)24-15-8-16-25-23(4,5)6/h7,9-14,17H,8,15-16H2,1-6H3
InChIKeyONXKQVSDNMEPPU-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.24
Rot. Bonds6

About 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene

1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene (PubChem CID 135165102) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene
PubChem CID135165102
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene
SMILESCC(C)(C)OCCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C23H32O2/c1-22(2,3)20-13-11-18(12-14-20)19-9-7-10-21(17-19)24-15-8-16-25-23(4,5)6/h7,9-14,17H,8,15-16H2,1-6H3
InChIKeyONXKQVSDNMEPPU-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.24
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

3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
4-[3-(4-tert-butylphenyl)phenoxy]butanimidamide
CID 159651622
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
CID 90046992
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
CID 177106556
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
4-(3-octadecoxyphenyl)phenol
CID 91091323
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene?
The IUPAC name of 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene (CID 135165102) is 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene is CC(C)(C)OCCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene?
The InChIKey is ONXKQVSDNMEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-22(2,3)20-13-11-18(12-14-20)19-9-7-10-21(17-19)24-15-8-16-25-23(4,5)6/h7,9-14,17H,8,15-16H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene?
1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene has a molecular weight of 340.51 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene is sourced from PubChem (CID 135165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).