1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene

C18H22O2 — CID 126761972

IUPAC1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
SMILESCC(C)Oc1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)15-5-7-17(8-6-15)20-18-11-9-16(10-12-18)19-14(3)4/h5-14H,1-4H3
InChIKeyPLIMINBRUFVJBB-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.39
Rot. Bonds5

About 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene

1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene (PubChem CID 126761972) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
PubChem CID126761972
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
SMILESCC(C)Oc1ccc(Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H22O2/c1-13(2)15-5-7-17(8-6-15)20-18-11-9-16(10-12-18)19-14(3)4/h5-14H,1-4H3
InChIKeyPLIMINBRUFVJBB-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
1-[bromo-(4-propan-2-yloxyphenyl)methyl]-4-propan-2-ylbenzene
CID 63441254
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
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1-(4-propan-2-yloxyphenyl)-4-[4-(4-propan-2-ylphenyl)sulfonylphenoxy]benzene
CID 148598428
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine
CID 91533455
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene (CID 126761972) is 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene is CC(C)Oc1ccc(Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene?
The InChIKey is PLIMINBRUFVJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)15-5-7-17(8-6-15)20-18-11-9-16(10-12-18)19-14(3)4/h5-14H,1-4H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene?
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene has a molecular weight of 270.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene is sourced from PubChem (CID 126761972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).