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

C24H25ClO2 — CID 3067175

IUPAC2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H25ClO2/c1-18-12-13-20(15-23(18)25)24(2,3)17-26-16-19-8-7-11-22(14-19)27-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3
InChIKeyYQOOSGPMAQFBPU-UHFFFAOYSA-N
MW380.92 g/mol
LogP6.94
Rot. Bonds7

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

2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067175) has the molecular formula C24H25ClO2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067175
Molecular FormulaC24H25ClO2
Molecular Weight380.92 g/mol
Exact Mass380.15
IUPAC Name2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1Cl
InChIInChI=1S/C24H25ClO2/c1-18-12-13-20(15-23(18)25)24(2,3)17-26-16-19-8-7-11-22(14-19)27-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3
InChIKeyYQOOSGPMAQFBPU-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 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067175) is 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is Cc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1Cl.
What is the InChIKey of 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is YQOOSGPMAQFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO2/c1-18-12-13-20(15-23(18)25)24(2,3)17-26-16-19-8-7-11-22(14-19)27-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)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 2-chloro-1-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).