2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene

C32H34O5 — CID 139826525

IUPAC2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
SMILESCOc1ccc(COc2cc(OCc3ccccc3)ccc2CCCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H34O5/c1-33-28-16-12-25(13-17-28)23-37-32-21-30(36-22-24-8-5-4-6-9-24)19-15-27(32)11-7-10-26-14-18-29(34-2)20-31(26)35-3/h4-6,8-9,12-21H,7,10-11,22-23H2,1-3H3
InChIKeySBYSTNVVMYJEDB-UHFFFAOYSA-N
MW498.62 g/mol
LogP7.05
Rot. Bonds13

About 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene

2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene (PubChem CID 139826525) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
PubChem CID139826525
Molecular FormulaC32H34O5
Molecular Weight498.62 g/mol
Exact Mass498.24
IUPAC Name2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
SMILESCOc1ccc(COc2cc(OCc3ccccc3)ccc2CCCc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C32H34O5/c1-33-28-16-12-25(13-17-28)23-37-32-21-30(36-22-24-8-5-4-6-9-24)19-15-27(32)11-7-10-26-14-18-29(34-2)20-31(26)35-3/h4-6,8-9,12-21H,7,10-11,22-23H2,1-3H3
InChIKeySBYSTNVVMYJEDB-UHFFFAOYSA-N
XLogP7.05
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
CID 123516675
CID 123516675

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene (CID 139826525) is 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene is COc1ccc(COc2cc(OCc3ccccc3)ccc2CCCc2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene?
The InChIKey is SBYSTNVVMYJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-33-28-16-12-25(13-17-28)23-37-32-21-30(36-22-24-8-5-4-6-9-24)19-15-27(32)11-7-10-26-14-18-29(34-2)20-31(26)35-3/h4-6,8-9,12-21H,7,10-11,22-23H2,1-3H3.
What are the key properties of 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene?
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene has a molecular weight of 498.62 g/mol, XLogP of 7.05, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene is sourced from PubChem (CID 139826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).