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

C18H21ClO3 — CID 57023447

IUPAC1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(COC(Cl)c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H21ClO3/c1-20-11-14-3-5-16(6-4-14)13-22-18(19)17-9-7-15(8-10-17)12-21-2/h3-10,18H,11-13H2,1-2H3
InChIKeyDALLKDDFIVRTDO-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.43
Rot. Bonds8

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

1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene (PubChem CID 57023447) has the molecular formula C18H21ClO3 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene
PubChem CID57023447
Molecular FormulaC18H21ClO3
Molecular Weight320.82 g/mol
Exact Mass320.12
IUPAC Name1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(COC(Cl)c2ccc(COC)cc2)cc1
InChIInChI=1S/C18H21ClO3/c1-20-11-14-3-5-16(6-4-14)13-22-18(19)17-9-7-15(8-10-17)12-21-2/h3-10,18H,11-13H2,1-2H3
InChIKeyDALLKDDFIVRTDO-UHFFFAOYSA-N
XLogP4.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene?
The IUPAC name of 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene (CID 57023447) is 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene is COCc1ccc(COC(Cl)c2ccc(COC)cc2)cc1.
What is the InChIKey of 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene?
The InChIKey is DALLKDDFIVRTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO3/c1-20-11-14-3-5-16(6-4-14)13-22-18(19)17-9-7-15(8-10-17)12-21-2/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene?
1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene has a molecular weight of 320.82 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro-[4-(methoxymethyl)phenyl]methoxy]methyl]-4-(methoxymethyl)benzene is sourced from PubChem (CID 57023447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).