1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene

C26H21ClO2 — CID 174433994

IUPAC1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H21ClO2/c1-28-25-15-16-26(21-7-11-23(27)12-8-21)22(17-25)18-29-24-13-9-20(10-14-24)19-5-3-2-4-6-19/h2-17H,18H2,1H3
InChIKeyQPOFYRWQQSAKPM-UHFFFAOYSA-N
MW400.91 g/mol
LogP7.26
Rot. Bonds6

About 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene

1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene (PubChem CID 174433994) has the molecular formula C26H21ClO2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
PubChem CID174433994
Molecular FormulaC26H21ClO2
Molecular Weight400.91 g/mol
Exact Mass400.12
IUPAC Name1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
SMILESCOc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C26H21ClO2/c1-28-25-15-16-26(21-7-11-23(27)12-8-21)22(17-25)18-29-24-13-9-20(10-14-24)19-5-3-2-4-6-19/h2-17H,18H2,1H3
InChIKeyQPOFYRWQQSAKPM-UHFFFAOYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-[(4-ethynylphenoxy)methyl]-4-methoxybenzene
CID 141026509
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene
CID 102256089
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
CID 91537786
1-[[2-(4-chlorophenyl)-5-methoxyphenyl]methyl]piperidin-4-one
CID 91665640
2-[(5-methoxy-2-phenylphenyl)methyl]-1H-imidazole
CID 91469919
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene?
The IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene (CID 174433994) is 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene?
The canonical SMILES for 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene is COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene?
The InChIKey is QPOFYRWQQSAKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClO2/c1-28-25-15-16-26(21-7-11-23(27)12-8-21)22(17-25)18-29-24-13-9-20(10-14-24)19-5-3-2-4-6-19/h2-17H,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene?
1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene has a molecular weight of 400.91 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene is sourced from PubChem (CID 174433994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).