3-benzhydryloxypropylbenzene

C22H22O — CID 11255103

IUPAC3-benzhydryloxypropylbenzene
SMILESc1ccc(CCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyQDDZBFLMCGRMOV-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.43
Rot. Bonds7

About 3-benzhydryloxypropylbenzene

3-benzhydryloxypropylbenzene (PubChem CID 11255103) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-benzhydryloxypropylbenzene.

Molecular Properties

Compound Name3-benzhydryloxypropylbenzene
PubChem CID11255103
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name3-benzhydryloxypropylbenzene
SMILESc1ccc(CCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2
InChIKeyQDDZBFLMCGRMOV-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-benzhydryloxypropylbenzene 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

N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
benzhydryloxymethylbenzene
CID 11437288
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
6-propan-2-yloxyhexylbenzene
CID 57124523
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-ol
CID 24767780
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
3-phenylperoxypropylbenzene
CID 88815818
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxypropylbenzene?
The IUPAC name of 3-benzhydryloxypropylbenzene (CID 11255103) is 3-benzhydryloxypropylbenzene.
What is the SMILES notation for 3-benzhydryloxypropylbenzene?
The canonical SMILES for 3-benzhydryloxypropylbenzene is c1ccc(CCCOC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-benzhydryloxypropylbenzene?
The InChIKey is QDDZBFLMCGRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-4-11-19(12-5-1)13-10-18-23-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2.
What are the key properties of 3-benzhydryloxypropylbenzene?
3-benzhydryloxypropylbenzene has a molecular weight of 302.42 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxypropylbenzene is sourced from PubChem (CID 11255103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).