1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene

C27H24O2 — CID 19890139

IUPAC1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(c1ccccc1Oc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24O2/c1-27(2,23-17-9-11-19-25(23)28-21-13-5-3-6-14-21)24-18-10-12-20-26(24)29-22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyXOXIOEOLTILAQF-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.60
Rot. Bonds6

About 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene

1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene (PubChem CID 19890139) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
PubChem CID19890139
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(c1ccccc1Oc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24O2/c1-27(2,23-17-9-11-19-25(23)28-21-13-5-3-6-14-21)24-18-10-12-20-26(24)29-22-15-7-4-8-16-22/h3-20H,1-2H3
InChIKeyXOXIOEOLTILAQF-UHFFFAOYSA-N
XLogP7.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
2-hydroxy-2-(2-phenoxyphenyl)propanoic acid
CID 174597683
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-[2-(2-phenylpropan-2-yl)phenoxy]aniline
CID 67055511
phenoxybenzene;propane-2,2-diol
CID 174556232
ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-[4-(2-tert-butylphenoxy)phenyl]ethanol
CID 43506360
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
2-[4-(2-phenylpropan-2-yl)phenoxy]phenol
CID 57058375
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
methyl 4-(2-tert-butylphenoxy)benzoate
CID 91084435

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene (CID 19890139) is 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene is CC(C)(c1ccccc1Oc1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene?
The InChIKey is XOXIOEOLTILAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-27(2,23-17-9-11-19-25(23)28-21-13-5-3-6-14-21)24-18-10-12-20-26(24)29-22-15-7-4-8-16-22/h3-20H,1-2H3.
What are the key properties of 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene?
1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene has a molecular weight of 380.49 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-[2-(2-phenoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 19890139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).