2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene

C38H46O5 — CID 70548044

IUPAC2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
SMILESCCC(c1cc(OC)ccc1OC)C(COCC(c1ccccc1)C(CC)c1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C38H46O5/c1-7-31(33-23-29(39-3)19-21-37(33)41-5)35(27-15-11-9-12-16-27)25-43-26-36(28-17-13-10-14-18-28)32(8-2)34-24-30(40-4)20-22-38(34)42-6/h9-24,31-32,35-36H,7-8,25-26H2,1-6H3
InChIKeyRQHKEKVXHQYVQT-UHFFFAOYSA-N
MW582.78 g/mol
LogP8.99
Rot. Bonds16

About 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene

2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene (PubChem CID 70548044) has the molecular formula C38H46O5 and a molecular weight of 582.78 g/mol. Its IUPAC name is 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
PubChem CID70548044
Molecular FormulaC38H46O5
Molecular Weight582.78 g/mol
Exact Mass582.33
IUPAC Name2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
SMILESCCC(c1cc(OC)ccc1OC)C(COCC(c1ccccc1)C(CC)c1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C38H46O5/c1-7-31(33-23-29(39-3)19-21-37(33)41-5)35(27-15-11-9-12-16-27)25-43-26-36(28-17-13-10-14-18-28)32(8-2)34-24-30(40-4)20-22-38(34)42-6/h9-24,31-32,35-36H,7-8,25-26H2,1-6H3
InChIKeyRQHKEKVXHQYVQT-UHFFFAOYSA-N
XLogP8.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.78
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
CID 63434336
1-(5-fluoro-2-methoxyphenyl)-2-phenylbutan-1-ol
CID 61086906
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
2-(1-bromo-2-phenylbutyl)-4-chloro-1-methoxybenzene
CID 104546500
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2-(1-chloro-2-ethylbutyl)-1,4-dimethoxybenzene
CID 63429238
2-(2,5-dimethoxyphenyl)-1-phenylbutane-1,3-dione
CID 102159626
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
CID 105024997

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene (CID 70548044) is 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene is CCC(c1cc(OC)ccc1OC)C(COCC(c1ccccc1)C(CC)c1cc(OC)ccc1OC)c1ccccc1.
What is the InChIKey of 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene?
The InChIKey is RQHKEKVXHQYVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O5/c1-7-31(33-23-29(39-3)19-21-37(33)41-5)35(27-15-11-9-12-16-27)25-43-26-36(28-17-13-10-14-18-28)32(8-2)34-24-30(40-4)20-22-38(34)42-6/h9-24,31-32,35-36H,7-8,25-26H2,1-6H3.
What are the key properties of 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene?
2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene has a molecular weight of 582.78 g/mol, XLogP of 8.99, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene is sourced from PubChem (CID 70548044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).