1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene

C19H20F4O — CID 118188447

IUPAC1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
SMILESCCCCCCOc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H20F4O/c1-3-4-5-6-11-24-15-10-9-14(18(22)19(15)23)13-8-7-12(2)16(20)17(13)21/h7-10H,3-6,11H2,1-2H3
InChIKeyAKWGJCCHSXWTDH-UHFFFAOYSA-N
MW340.36 g/mol
LogP6.18
Rot. Bonds7

About 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene

1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene (PubChem CID 118188447) has the molecular formula C19H20F4O and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
PubChem CID118188447
Molecular FormulaC19H20F4O
Molecular Weight340.36 g/mol
Exact Mass340.15
IUPAC Name1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
SMILESCCCCCCOc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H20F4O/c1-3-4-5-6-11-24-15-10-9-14(18(22)19(15)23)13-8-7-12(2)16(20)17(13)21/h7-10H,3-6,11H2,1-2H3
InChIKeyAKWGJCCHSXWTDH-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.36
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2,3-difluoro-1-(2-fluoro-4-methylphenyl)-4-octoxybenzene
CID 58500753
1-butoxy-3-chloro-4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorobenzene
CID 125479169
1-(2-chloro-4-ethoxy-3-fluorophenyl)-2,3-difluoro-4-hexoxybenzene
CID 125478968
1,8-difluoro-2-hexoxy-7-methylphenanthrene
CID 20821878
1-butoxy-4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 88856310
1-[(E)-2-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 58141764
1-butoxy-4-[4-(2,3-difluoro-4-octoxyphenyl)cyclohexa-1,4-dien-1-yl]-2,3-difluorobenzene
CID 141293741
1-decoxy-2,3-difluoro-4-(2-fluoro-4-nonylphenyl)benzene
CID 70190083
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene (CID 118188447) is 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene is CCCCCCOc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene?
The InChIKey is AKWGJCCHSXWTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O/c1-3-4-5-6-11-24-15-10-9-14(18(22)19(15)23)13-8-7-12(2)16(20)17(13)21/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene?
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene has a molecular weight of 340.36 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 118188447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).