1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene

C29H28O2 — CID 173321187

IUPAC1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
SMILESc1ccc(CCOc2ccc(C(CCOc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H28O2/c1-4-10-24(11-5-1)20-22-30-28-18-16-26(17-19-28)29(25-12-6-2-7-13-25)21-23-31-27-14-8-3-9-15-27/h1-19,29H,20-23H2
InChIKeyKEKYUABETFWIQZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.91
Rot. Bonds10

About 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene

1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene (PubChem CID 173321187) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
PubChem CID173321187
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene
SMILESc1ccc(CCOc2ccc(C(CCOc3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H28O2/c1-4-10-24(11-5-1)20-22-30-28-18-16-26(17-19-28)29(25-12-6-2-7-13-25)21-23-31-27-14-8-3-9-15-27/h1-19,29H,20-23H2
InChIKeyKEKYUABETFWIQZ-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
3-amino-2-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 121229070
2-isocyano-1-[4-(2-phenylethoxy)phenyl]ethanol
CID 3677413
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
3-[3-[4-(3,3-diphenylpropoxy)phenyl]propylamino]propanoic acid
CID 23121607
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-(bromomethyl)-4-(2-phenoxyethyl)benzene
CID 174666948

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene?
The IUPAC name of 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene (CID 173321187) is 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene.
What is the SMILES notation for 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene?
The canonical SMILES for 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene is c1ccc(CCOc2ccc(C(CCOc3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene?
The InChIKey is KEKYUABETFWIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2/c1-4-10-24(11-5-1)20-22-30-28-18-16-26(17-19-28)29(25-12-6-2-7-13-25)21-23-31-27-14-8-3-9-15-27/h1-19,29H,20-23H2.
What are the key properties of 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene?
1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene has a molecular weight of 408.54 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxy-1-phenylpropyl)-4-(2-phenylethoxy)benzene is sourced from PubChem (CID 173321187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).