1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene

C24H25ClO2 — CID 3067126

IUPAC1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene
SMILESCc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H25ClO2/c1-18-7-13-22(14-8-18)27-23-6-4-5-19(15-23)16-26-17-24(2,3)20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3
InChIKeyBMQJXWPUEJXPLM-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.94
Rot. Bonds7

About 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene

1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene (PubChem CID 3067126) has the molecular formula C24H25ClO2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene
PubChem CID3067126
Molecular FormulaC24H25ClO2
Molecular Weight380.92 g/mol
Exact Mass380.15
IUPAC Name1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene
SMILESCc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H25ClO2/c1-18-7-13-22(14-8-18)27-23-6-4-5-19(15-23)16-26-17-24(2,3)20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3
InChIKeyBMQJXWPUEJXPLM-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene (CID 3067126) is 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene is Cc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene?
The InChIKey is BMQJXWPUEJXPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO2/c1-18-7-13-22(14-8-18)27-23-6-4-5-19(15-23)16-26-17-24(2,3)20-9-11-21(25)12-10-20/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene?
1-chloro-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene 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-4-[2-methyl-1-[[3-(4-methylphenoxy)phenyl]methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).