1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene

C17H14Cl2F2O — CID 164523735

IUPAC1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H14Cl2F2O/c1-10-4-5-16(6-11(10)2)22-17(20,21)12(3)13-7-14(18)9-15(19)8-13/h4-9H,3H2,1-2H3
InChIKeyOTPVFGMVBXUDDG-UHFFFAOYSA-N
MW343.20 g/mol
LogP6.30
Rot. Bonds4

About 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene

1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene (PubChem CID 164523735) has the molecular formula C17H14Cl2F2O and a molecular weight of 343.20 g/mol. Its IUPAC name is 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene
PubChem CID164523735
Molecular FormulaC17H14Cl2F2O
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene
SMILESC=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H14Cl2F2O/c1-10-4-5-16(6-11(10)2)22-17(20,21)12(3)13-7-14(18)9-15(19)8-13/h4-9H,3H2,1-2H3
InChIKeyOTPVFGMVBXUDDG-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene 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

1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CID 10062125
1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11414783
1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 11208222
1,3-dichloro-5-[(Z)-2-(3-methoxyphenyl)ethenyl]benzene
CID 11391816
Benzene, 1-((2-(3,5-dichlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067161
Benzene, 4-((2-(3,5-dichlorophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068492
Flufenprox
CID 86103
Benzene, 1,1'-oxybis-, monochloro bis(2-methylpropyl) deriv.
CID 172552
2-[4-(4-Chlorophenoxy)-2-(trifluoromethyl)phenyl]-2-methyloxirane
CID 86720248
1,3-dichloro-2-[(1S)-1-(3-cyclopropylphenoxy)ethyl]-4-fluorobenzene
CID 166636401
(z)-1-(4-Chlorophenyl)-3,3,3-trifluoro-1-(4-methoxyphenyl)propene
CID 12187366
2-Chloro-6-methoxynaphthalene
CID 3017805

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene (CID 164523735) is 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene is C=C(c1cc(Cl)cc(Cl)c1)C(F)(F)Oc1ccc(C)c(C)c1.
What is the InChIKey of 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene?
The InChIKey is OTPVFGMVBXUDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2O/c1-10-4-5-16(6-11(10)2)22-17(20,21)12(3)13-7-14(18)9-15(19)8-13/h4-9H,3H2,1-2H3.
What are the key properties of 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene?
1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene has a molecular weight of 343.20 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene is sourced from PubChem (CID 164523735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).