1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene

C19H21ClF2O2 — CID 146551901

IUPAC1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)ccc(CCOCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C19H21ClF2O2/c1-13(2)24-12-17-18(21)8-5-15(19(17)22)9-10-23-11-14-3-6-16(20)7-4-14/h3-8,13H,9-12H2,1-2H3
InChIKeyWJFVTRNKNFZINN-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.30
Rot. Bonds8

About 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene

1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene (PubChem CID 146551901) has the molecular formula C19H21ClF2O2 and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
PubChem CID146551901
Molecular FormulaC19H21ClF2O2
Molecular Weight354.82 g/mol
Exact Mass354.12
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)ccc(CCOCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C19H21ClF2O2/c1-13(2)24-12-17-18(21)8-5-15(19(17)22)9-10-23-11-14-3-6-16(20)7-4-14/h3-8,13H,9-12H2,1-2H3
InChIKeyWJFVTRNKNFZINN-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene (CID 146551901) is 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene is CC(C)OCc1c(F)ccc(CCOCc2ccc(Cl)cc2)c1F.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
The InChIKey is WJFVTRNKNFZINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2O2/c1-13(2)24-12-17-18(21)8-5-15(19(17)22)9-10-23-11-14-3-6-16(20)7-4-14/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene?
1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene has a molecular weight of 354.82 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]ethyl]-2,4-difluoro-3-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 146551901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).