1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene

C21H19ClO2 — CID 168831810

IUPAC1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccccc2C(Cl)c2ccccc2)cc1
InChIInChI=1S/C21H19ClO2/c1-23-18-13-11-16(12-14-18)15-24-20-10-6-5-9-19(20)21(22)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3
InChIKeySOYKLYQPGIHDBH-UHFFFAOYSA-N
MW338.83 g/mol
LogP5.60
Rot. Bonds6

About 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene

1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 168831810) has the molecular formula C21H19ClO2 and a molecular weight of 338.83 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
PubChem CID168831810
Molecular FormulaC21H19ClO2
Molecular Weight338.83 g/mol
Exact Mass338.11
IUPAC Name1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccccc2C(Cl)c2ccccc2)cc1
InChIInChI=1S/C21H19ClO2/c1-23-18-13-11-16(12-14-18)15-24-20-10-6-5-9-19(20)21(22)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3
InChIKeySOYKLYQPGIHDBH-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.83
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene (CID 168831810) is 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccccc2C(Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is SOYKLYQPGIHDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClO2/c1-23-18-13-11-16(12-14-18)15-24-20-10-6-5-9-19(20)21(22)17-7-3-2-4-8-17/h2-14,21H,15H2,1H3.
What are the key properties of 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene?
1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 338.83 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-2-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 168831810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).