1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene

C19H22F2O — CID 19107844

IUPAC1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1
InChIInChI=1S/C19H22F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h8-13H,3-7H2,1-2H3
InChIKeyRYFAVBRTSOQDNP-UHFFFAOYSA-N
MW304.38 g/mol
LogP5.76
Rot. Bonds7

About 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene

1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene (PubChem CID 19107844) has the molecular formula C19H22F2O and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene
PubChem CID19107844
Molecular FormulaC19H22F2O
Molecular Weight304.38 g/mol
Exact Mass304.16
IUPAC Name1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1
InChIInChI=1S/C19H22F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h8-13H,3-7H2,1-2H3
InChIKeyRYFAVBRTSOQDNP-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene (CID 19107844) is 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(OCC)c(F)c2F)cc1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene?
The InChIKey is RYFAVBRTSOQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene?
1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene has a molecular weight of 304.38 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 19107844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).