1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene

C27H32O5 — CID 139826698

IUPAC1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCCOc1cc(OCc2ccc(OC)cc2)ccc1CCCc1ccc(OC)cc1OC
InChIInChI=1S/C27H32O5/c1-5-31-27-18-25(32-19-20-9-13-23(28-2)14-10-20)16-12-22(27)8-6-7-21-11-15-24(29-3)17-26(21)30-4/h9-18H,5-8,19H2,1-4H3
InChIKeyRJLPLMDMCXTGPT-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.87
Rot. Bonds12

About 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene

1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 139826698) has the molecular formula C27H32O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID139826698
Molecular FormulaC27H32O5
Molecular Weight436.55 g/mol
Exact Mass436.22
IUPAC Name1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCCOc1cc(OCc2ccc(OC)cc2)ccc1CCCc1ccc(OC)cc1OC
InChIInChI=1S/C27H32O5/c1-5-31-27-18-25(32-19-20-9-13-23(28-2)14-10-20)16-12-22(27)8-6-7-21-11-15-24(29-3)17-26(21)30-4/h9-18H,5-8,19H2,1-4H3
InChIKeyRJLPLMDMCXTGPT-UHFFFAOYSA-N
XLogP5.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.87
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
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene (CID 139826698) is 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene is CCOc1cc(OCc2ccc(OC)cc2)ccc1CCCc1ccc(OC)cc1OC.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is RJLPLMDMCXTGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5/c1-5-31-27-18-25(32-19-20-9-13-23(28-2)14-10-20)16-12-22(27)8-6-7-21-11-15-24(29-3)17-26(21)30-4/h9-18H,5-8,19H2,1-4H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene?
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 436.55 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 139826698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).