1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene

C23H32O4 — CID 153498414

IUPAC1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
SMILESCC(C)OCCOc1cccc(Cc2cccc(OCCOC(C)C)c2)c1
InChIInChI=1S/C23H32O4/c1-18(2)24-11-13-26-22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)27-14-12-25-19(3)4/h5-10,16-19H,11-15H2,1-4H3
InChIKeyGIFZOBDYRIISBM-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.89
Rot. Bonds12

About 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene

1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene (PubChem CID 153498414) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
PubChem CID153498414
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
SMILESCC(C)OCCOc1cccc(Cc2cccc(OCCOC(C)C)c2)c1
InChIInChI=1S/C23H32O4/c1-18(2)24-11-13-26-22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)27-14-12-25-19(3)4/h5-10,16-19H,11-15H2,1-4H3
InChIKeyGIFZOBDYRIISBM-UHFFFAOYSA-N
XLogP4.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene?
The IUPAC name of 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene (CID 153498414) is 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene.
What is the SMILES notation for 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene?
The canonical SMILES for 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene is CC(C)OCCOc1cccc(Cc2cccc(OCCOC(C)C)c2)c1.
What is the InChIKey of 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene?
The InChIKey is GIFZOBDYRIISBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-18(2)24-11-13-26-22-9-5-7-20(16-22)15-21-8-6-10-23(17-21)27-14-12-25-19(3)4/h5-10,16-19H,11-15H2,1-4H3.
What are the key properties of 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene?
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene has a molecular weight of 372.51 g/mol, XLogP of 4.89, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene is sourced from PubChem (CID 153498414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).