1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene

C24H25ClO2 — CID 3068486

IUPAC1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene
SMILESCc1ccc(C(C)(C)COCc2cc(Oc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C24H25ClO2/c1-18-9-11-20(12-10-18)24(2,3)17-26-16-19-15-22(13-14-23(19)25)27-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3
InChIKeyALEXTXSVFVEMAX-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.94
Rot. Bonds7

About 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene

1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene (PubChem CID 3068486) has the molecular formula C24H25ClO2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene
PubChem CID3068486
Molecular FormulaC24H25ClO2
Molecular Weight380.92 g/mol
Exact Mass380.15
IUPAC Name1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene
SMILESCc1ccc(C(C)(C)COCc2cc(Oc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C24H25ClO2/c1-18-9-11-20(12-10-18)24(2,3)17-26-16-19-15-22(13-14-23(19)25)27-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3
InChIKeyALEXTXSVFVEMAX-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
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-dimethyl-4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 3027252
Benzene, 1-((2-(4-methoxyphenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067110
Benzene, 1-(4-fluorophenoxy)-3-((2-methyl-2-(4-methylphenyl)propoxy)methyl)-
CID 3067112
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
Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067124

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene?
The IUPAC name of 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene (CID 3068486) is 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene.
What is the SMILES notation for 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene?
The canonical SMILES for 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene is Cc1ccc(C(C)(C)COCc2cc(Oc3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene?
The InChIKey is ALEXTXSVFVEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO2/c1-18-9-11-20(12-10-18)24(2,3)17-26-16-19-15-22(13-14-23(19)25)27-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene?
1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene has a molecular weight of 380.92 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[2-methyl-2-(4-methylphenyl)propoxy]methyl]-4-phenoxybenzene is sourced from PubChem (CID 3068486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).