(2-benzyl-3-phenylmethoxypropoxy)methylbenzene

C24H26O2 — CID 139384668

IUPAC(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
SMILESc1ccc(COCC(COCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26O2/c1-4-10-21(11-5-1)16-24(19-25-17-22-12-6-2-7-13-22)20-26-18-23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKeyIEHQFHFRROKFQN-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.28
Rot. Bonds10

About (2-benzyl-3-phenylmethoxypropoxy)methylbenzene

(2-benzyl-3-phenylmethoxypropoxy)methylbenzene (PubChem CID 139384668) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2-benzyl-3-phenylmethoxypropoxy)methylbenzene.

Molecular Properties

Compound Name(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
PubChem CID139384668
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
SMILESc1ccc(COCC(COCc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H26O2/c1-4-10-21(11-5-1)16-24(19-25-17-22-12-6-2-7-13-22)20-26-18-23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKeyIEHQFHFRROKFQN-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-benzyl-3-phenylmethoxypropoxy)methylbenzene 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

2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-benzyloctoxymethylbenzene
CID 134979791
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
ethyl 2,2-difluoro-2-[4-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]phenyl]acetate
CID 21265696
CID 66734377
CID 66734377
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-phenylmethoxypropoxy)methylbenzene?
The IUPAC name of (2-benzyl-3-phenylmethoxypropoxy)methylbenzene (CID 139384668) is (2-benzyl-3-phenylmethoxypropoxy)methylbenzene.
What is the SMILES notation for (2-benzyl-3-phenylmethoxypropoxy)methylbenzene?
The canonical SMILES for (2-benzyl-3-phenylmethoxypropoxy)methylbenzene is c1ccc(COCC(COCc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (2-benzyl-3-phenylmethoxypropoxy)methylbenzene?
The InChIKey is IEHQFHFRROKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-4-10-21(11-5-1)16-24(19-25-17-22-12-6-2-7-13-22)20-26-18-23-14-8-3-9-15-23/h1-15,24H,16-20H2.
What are the key properties of (2-benzyl-3-phenylmethoxypropoxy)methylbenzene?
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene has a molecular weight of 346.47 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-phenylmethoxypropoxy)methylbenzene is sourced from PubChem (CID 139384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).