1-(2-phenoxypropyl)-4-phenylmethoxybenzene

C22H22O2 — CID 150936303

IUPAC1-(2-phenoxypropyl)-4-phenylmethoxybenzene
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C22H22O2/c1-18(24-22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)23-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKeyLHCGJKLJTHBMMS-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.28
Rot. Bonds7

About 1-(2-phenoxypropyl)-4-phenylmethoxybenzene

1-(2-phenoxypropyl)-4-phenylmethoxybenzene (PubChem CID 150936303) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-phenoxypropyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(2-phenoxypropyl)-4-phenylmethoxybenzene
PubChem CID150936303
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name1-(2-phenoxypropyl)-4-phenylmethoxybenzene
SMILESCC(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1
InChIInChI=1S/C22H22O2/c1-18(24-22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)23-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3
InChIKeyLHCGJKLJTHBMMS-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypropyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(2-phenoxypropyl)-4-phenylmethoxybenzene (CID 150936303) is 1-(2-phenoxypropyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(2-phenoxypropyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(2-phenoxypropyl)-4-phenylmethoxybenzene is CC(Cc1ccc(OCc2ccccc2)cc1)Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxypropyl)-4-phenylmethoxybenzene?
The InChIKey is LHCGJKLJTHBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-18(24-22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)23-17-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3.
What are the key properties of 1-(2-phenoxypropyl)-4-phenylmethoxybenzene?
1-(2-phenoxypropyl)-4-phenylmethoxybenzene has a molecular weight of 318.42 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypropyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 150936303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).