1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

C24H25ClO3 — CID 3067141

IUPAC1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H25ClO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKeyWUZYFBMRHOKGMF-UHFFFAOYSA-N
MW396.91 g/mol
LogP6.64
Rot. Bonds8

About 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene

1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (PubChem CID 3067141) has the molecular formula C24H25ClO3 and a molecular weight of 396.91 g/mol. Its IUPAC name is 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
PubChem CID3067141
Molecular FormulaC24H25ClO3
Molecular Weight396.91 g/mol
Exact Mass396.15
IUPAC Name1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H25ClO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3
InChIKeyWUZYFBMRHOKGMF-UHFFFAOYSA-N
XLogP6.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.91
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (CID 3067141) is 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is COc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is WUZYFBMRHOKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO3/c1-24(2,19-7-9-20(25)10-8-19)17-27-16-18-5-4-6-23(15-18)28-22-13-11-21(26-3)12-14-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 396.91 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 3067141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).