1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene

C24H24Cl2O2 — CID 3067158

IUPAC1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2O2/c1-3-24(2,19-12-13-22(25)23(26)15-19)17-27-16-18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3
InChIKeyUPXSOQYAYJCLOD-UHFFFAOYSA-N
MW415.36 g/mol
LogP7.67
Rot. Bonds8

About 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene

1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene (PubChem CID 3067158) has the molecular formula C24H24Cl2O2 and a molecular weight of 415.36 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
PubChem CID3067158
Molecular FormulaC24H24Cl2O2
Molecular Weight415.36 g/mol
Exact Mass414.12
IUPAC Name1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene
SMILESCCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H24Cl2O2/c1-3-24(2,19-12-13-22(25)23(26)15-19)17-27-16-18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3
InChIKeyUPXSOQYAYJCLOD-UHFFFAOYSA-N
XLogP7.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067155
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-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(2-fluorophenoxy)-
CID 3067121
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067124
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methylphenoxy)-
CID 3067126
Benzene, 1-(4-bromophenoxy)-3-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-
CID 3067128
Benzene, 1-(3-chlorophenoxy)-3-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-
CID 3067132
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(3-methylphenoxy)-
CID 3067133
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067141
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067147

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene (CID 3067158) is 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene is CCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
The InChIKey is UPXSOQYAYJCLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2O2/c1-3-24(2,19-12-13-22(25)23(26)15-19)17-27-16-18-8-7-11-21(14-18)28-20-9-5-4-6-10-20/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene?
1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene has a molecular weight of 415.36 g/mol, XLogP of 7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]butan-2-yl]benzene is sourced from PubChem (CID 3067158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).