1-benzyl-4-[(4-chlorophenyl)methoxy]benzene

C20H17ClO — CID 54328540

IUPAC1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
SMILESClc1ccc(COc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17ClO/c21-19-10-6-18(7-11-19)15-22-20-12-8-17(9-13-20)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeySWRMFGPXYVDTLH-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.51
Rot. Bonds5

About 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene

1-benzyl-4-[(4-chlorophenyl)methoxy]benzene (PubChem CID 54328540) has the molecular formula C20H17ClO and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
PubChem CID54328540
Molecular FormulaC20H17ClO
Molecular Weight308.81 g/mol
Exact Mass308.10
IUPAC Name1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
SMILESClc1ccc(COc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H17ClO/c21-19-10-6-18(7-11-19)15-22-20-12-8-17(9-13-20)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeySWRMFGPXYVDTLH-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene 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-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
(Z)-[(4-chlorophenyl)-(4-phenylmethoxyphenyl)methylidene]hydrazine
CID 134121607
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 105350569

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene?
The IUPAC name of 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene (CID 54328540) is 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene is Clc1ccc(COc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene?
The InChIKey is SWRMFGPXYVDTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO/c21-19-10-6-18(7-11-19)15-22-20-12-8-17(9-13-20)14-16-4-2-1-3-5-16/h1-13H,14-15H2.
What are the key properties of 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene?
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene has a molecular weight of 308.81 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 54328540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).