1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C23H22Cl2O2 — CID 3067161

IUPAC1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H22Cl2O2/c1-23(2,18-12-19(24)14-20(25)13-18)16-26-15-17-7-6-10-22(11-17)27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3
InChIKeyOTWGOMQVPJGPOK-UHFFFAOYSA-N
MW401.33 g/mol
LogP7.28
Rot. Bonds7

About 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067161) has the molecular formula C23H22Cl2O2 and a molecular weight of 401.33 g/mol. Its IUPAC name is 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067161
Molecular FormulaC23H22Cl2O2
Molecular Weight401.33 g/mol
Exact Mass400.10
IUPAC Name1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H22Cl2O2/c1-23(2,18-12-19(24)14-20(25)13-18)16-26-15-17-7-6-10-22(11-17)27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3
InChIKeyOTWGOMQVPJGPOK-UHFFFAOYSA-N
XLogP7.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
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-(4-(1-methylethyl)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 595030
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
Benzene, 1-((2-(4-methoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067110
Benzene, 1-(4-fluorophenoxy)-3-((2-(4-fluorophenyl)-2-methylbutoxy)methyl)-
CID 3067111
Benzene, 1-(4-bromophenoxy)-3-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-
CID 3067113
Benzene, 1-((2-methyl-2-phenylpropoxy)methyl)-3-phenoxy-
CID 3067114
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067115
Benzene, 1-(4-methoxyphenoxy)-3-((2-phenyl-2-methylpropoxy)methyl)-
CID 3067120
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(2-fluorophenoxy)-
CID 3067121

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067161) is 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is OTWGOMQVPJGPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2O2/c1-23(2,18-12-19(24)14-20(25)13-18)16-26-15-17-7-6-10-22(11-17)27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3.
What are the key properties of 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 401.33 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).