1,3-bis(3-propan-2-ylphenoxy)benzene

C24H26O2 — CID 90260311

IUPAC1,3-bis(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2cccc(Oc3cccc(C(C)C)c3)c2)c1
InChIInChI=1S/C24H26O2/c1-17(2)19-8-5-10-21(14-19)25-23-12-7-13-24(16-23)26-22-11-6-9-20(15-22)18(3)4/h5-18H,1-4H3
InChIKeyVHYIMCRERFLWKP-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.52
Rot. Bonds6

About 1,3-bis(3-propan-2-ylphenoxy)benzene

1,3-bis(3-propan-2-ylphenoxy)benzene (PubChem CID 90260311) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1,3-bis(3-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1,3-bis(3-propan-2-ylphenoxy)benzene
PubChem CID90260311
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name1,3-bis(3-propan-2-ylphenoxy)benzene
SMILESCC(C)c1cccc(Oc2cccc(Oc3cccc(C(C)C)c3)c2)c1
InChIInChI=1S/C24H26O2/c1-17(2)19-8-5-10-21(14-19)25-23-12-7-13-24(16-23)26-22-11-6-9-20(15-22)18(3)4/h5-18H,1-4H3
InChIKeyVHYIMCRERFLWKP-UHFFFAOYSA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
CID 91869714
CID 91869714
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
1,2-diisocyano-4-(3-propan-2-ylphenoxy)benzene
CID 123578088
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 43111282
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
CID 60986562

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-propan-2-ylphenoxy)benzene?
The IUPAC name of 1,3-bis(3-propan-2-ylphenoxy)benzene (CID 90260311) is 1,3-bis(3-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1,3-bis(3-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1,3-bis(3-propan-2-ylphenoxy)benzene is CC(C)c1cccc(Oc2cccc(Oc3cccc(C(C)C)c3)c2)c1.
What is the InChIKey of 1,3-bis(3-propan-2-ylphenoxy)benzene?
The InChIKey is VHYIMCRERFLWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-17(2)19-8-5-10-21(14-19)25-23-12-7-13-24(16-23)26-22-11-6-9-20(15-22)18(3)4/h5-18H,1-4H3.
What are the key properties of 1,3-bis(3-propan-2-ylphenoxy)benzene?
1,3-bis(3-propan-2-ylphenoxy)benzene has a molecular weight of 346.47 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 90260311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).