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

C24H24Cl2O3 — CID 3067147

IUPAC1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H24Cl2O3/c1-24(2,18-7-12-22(25)23(26)14-18)16-28-15-17-5-4-6-21(13-17)29-20-10-8-19(27-3)9-11-20/h4-14H,15-16H2,1-3H3
InChIKeyPVHMRBBXXWLIMT-UHFFFAOYSA-N
MW431.36 g/mol
LogP7.29
Rot. Bonds8

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

1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (PubChem CID 3067147) has the molecular formula C24H24Cl2O3 and a molecular weight of 431.36 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
PubChem CID3067147
Molecular FormulaC24H24Cl2O3
Molecular Weight431.36 g/mol
Exact Mass430.11
IUPAC Name1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene
SMILESCOc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H24Cl2O3/c1-24(2,18-7-12-22(25)23(26)14-18)16-28-15-17-5-4-6-21(13-17)29-20-10-8-19(27-3)9-11-20/h4-14H,15-16H2,1-3H3
InChIKeyPVHMRBBXXWLIMT-UHFFFAOYSA-N
XLogP7.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene (CID 3067147) is 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is COc1ccc(Oc2cccc(COCC(C)(C)c3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is PVHMRBBXXWLIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2O3/c1-24(2,18-7-12-22(25)23(26)14-18)16-28-15-17-5-4-6-21(13-17)29-20-10-8-19(27-3)9-11-20/h4-14H,15-16H2,1-3H3.
What are the key properties of 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene?
1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 431.36 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-[[3-(4-methoxyphenoxy)phenyl]methoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 3067147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).