2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene

C23H24O3 — CID 54039072

IUPAC2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(OCc3ccccc3)cc2)c(OCC)c1
InChIInChI=1S/C23H24O3/c1-3-24-21-14-15-22(23(16-21)25-4-2)19-10-12-20(13-11-19)26-17-18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3
InChIKeyDWBPILPYLSBEJW-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.73
Rot. Bonds8

About 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene

2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene (PubChem CID 54039072) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
PubChem CID54039072
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
SMILESCCOc1ccc(-c2ccc(OCc3ccccc3)cc2)c(OCC)c1
InChIInChI=1S/C23H24O3/c1-3-24-21-14-15-22(23(16-21)25-4-2)19-10-12-20(13-11-19)26-17-18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3
InChIKeyDWBPILPYLSBEJW-UHFFFAOYSA-N
XLogP5.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diethoxy-1-phenylbenzene
CID 132889855
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
3-[4-[[4-(4-chloro-2-ethoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 143106406
1-[4-(methoxymethoxy)phenyl]-4-(4-methylphenyl)-2-phenylmethoxybenzene
CID 118944139
1-(4-ethylphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508535

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene (CID 54039072) is 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene is CCOc1ccc(-c2ccc(OCc3ccccc3)cc2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene?
The InChIKey is DWBPILPYLSBEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-3-24-21-14-15-22(23(16-21)25-4-2)19-10-12-20(13-11-19)26-17-18-8-6-5-7-9-18/h5-16H,3-4,17H2,1-2H3.
What are the key properties of 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene?
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene has a molecular weight of 348.44 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 54039072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).