1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene

C35H36O4 — CID 59168518

IUPAC1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
SMILESC=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H36O4/c1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2/h3-4,6-21H,1-2,5,22-27H2
InChIKeyCJXSXFLJZNLMIG-UHFFFAOYSA-N
MW520.67 g/mol
LogP7.85
Rot. Bonds16

About 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene

1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene (PubChem CID 59168518) has the molecular formula C35H36O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
PubChem CID59168518
Molecular FormulaC35H36O4
Molecular Weight520.67 g/mol
Exact Mass520.26
IUPAC Name1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene
SMILESC=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H36O4/c1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2/h3-4,6-21H,1-2,5,22-27H2
InChIKeyCJXSXFLJZNLMIG-UHFFFAOYSA-N
XLogP7.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
3-(4-prop-2-enoxyphenyl)propan-1-ol
CID 54214209
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
3,6-bis[(4-prop-2-enoxyphenyl)methyl]piperazine-2,5-dione
CID 168859066
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
2-(4-prop-2-enoxyphenyl)acetyl chloride
CID 22625448
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene?
The IUPAC name of 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene (CID 59168518) is 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene?
The canonical SMILES for 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene is C=CCOc1ccc(Cc2ccc(OCCCOc3ccc(Cc4ccc(OCC=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene?
The InChIKey is CJXSXFLJZNLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O4/c1-3-22-36-32-14-6-28(7-15-32)26-30-10-18-34(19-11-30)38-24-5-25-39-35-20-12-31(13-21-35)27-29-8-16-33(17-9-29)37-23-4-2/h3-4,6-21H,1-2,5,22-27H2.
What are the key properties of 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene?
1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene has a molecular weight of 520.67 g/mol, XLogP of 7.85, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene is sourced from PubChem (CID 59168518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).