1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene

C38H38O4 — CID 139826646

IUPAC1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
SMILESCCOc1cc(OCc2ccccc2)ccc1CCCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C38H38O4/c1-2-39-37-25-35(40-27-30-13-6-3-7-14-30)23-21-33(37)19-12-20-34-22-24-36(41-28-31-15-8-4-9-16-31)26-38(34)42-29-32-17-10-5-11-18-32/h3-11,13-18,21-26H,2,12,19-20,27-29H2,1H3
InChIKeyWZDXKYJHTXTBOM-UHFFFAOYSA-N
MW558.72 g/mol
LogP9.00
Rot. Bonds15

About 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene

1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene (PubChem CID 139826646) has the molecular formula C38H38O4 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
PubChem CID139826646
Molecular FormulaC38H38O4
Molecular Weight558.72 g/mol
Exact Mass558.28
IUPAC Name1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
SMILESCCOc1cc(OCc2ccccc2)ccc1CCCc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C38H38O4/c1-2-39-37-25-35(40-27-30-13-6-3-7-14-30)23-21-33(37)19-12-20-34-22-24-36(41-28-31-15-8-4-9-16-31)26-38(34)42-29-32-17-10-5-11-18-32/h3-11,13-18,21-26H,2,12,19-20,27-29H2,1H3
InChIKeyWZDXKYJHTXTBOM-UHFFFAOYSA-N
XLogP9.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
2-(4-chlorobutoxy)-1-ethyl-4-phenylmethoxybenzene
CID 10687073
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene?
The IUPAC name of 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene (CID 139826646) is 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene?
The canonical SMILES for 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene is CCOc1cc(OCc2ccccc2)ccc1CCCc1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene?
The InChIKey is WZDXKYJHTXTBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38O4/c1-2-39-37-25-35(40-27-30-13-6-3-7-14-30)23-21-33(37)19-12-20-34-22-24-36(41-28-31-15-8-4-9-16-31)26-38(34)42-29-32-17-10-5-11-18-32/h3-11,13-18,21-26H,2,12,19-20,27-29H2,1H3.
What are the key properties of 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene?
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene has a molecular weight of 558.72 g/mol, XLogP of 9.00, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene is sourced from PubChem (CID 139826646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).