1,3-diphenylpropan-2-yloxybenzene

C21H20O — CID 54221058

IUPAC1,3-diphenylpropan-2-yloxybenzene
SMILESc1ccc(CC(Cc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H20O/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyQCPXQNOHCDABQY-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.92
Rot. Bonds6

About 1,3-diphenylpropan-2-yloxybenzene

1,3-diphenylpropan-2-yloxybenzene (PubChem CID 54221058) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-yloxybenzene.

Molecular Properties

Compound Name1,3-diphenylpropan-2-yloxybenzene
PubChem CID54221058
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1,3-diphenylpropan-2-yloxybenzene
SMILESc1ccc(CC(Cc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C21H20O/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyQCPXQNOHCDABQY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-diphenylpropan-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenoxy-2-phenylethanol
CID 54118978
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
1,3-diphenylpropan-2-yl diphenyl phosphate
CID 45103115
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
CID 141203341
1,3-diphenylpropan-2-yl formate
CID 122547977
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
CID 141293337

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-yloxybenzene?
The IUPAC name of 1,3-diphenylpropan-2-yloxybenzene (CID 54221058) is 1,3-diphenylpropan-2-yloxybenzene.
What is the SMILES notation for 1,3-diphenylpropan-2-yloxybenzene?
The canonical SMILES for 1,3-diphenylpropan-2-yloxybenzene is c1ccc(CC(Cc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 1,3-diphenylpropan-2-yloxybenzene?
The InChIKey is QCPXQNOHCDABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)22-20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of 1,3-diphenylpropan-2-yloxybenzene?
1,3-diphenylpropan-2-yloxybenzene has a molecular weight of 288.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-yloxybenzene is sourced from PubChem (CID 54221058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).