4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol

C35H34O4 — CID 118013728

IUPAC4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
SMILESC=CCOc1ccc(C(c2ccc(O)cc2)C(c2ccc(OCC=C)cc2)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C35H34O4/c1-4-23-37-31-17-9-27(10-18-31)34(26-7-15-30(36)16-8-26)35(28-11-19-32(20-12-28)38-24-5-2)29-13-21-33(22-14-29)39-25-6-3/h4-22,34-36H,1-3,23-25H2
InChIKeyRSLXZPHPYZGJBF-UHFFFAOYSA-N
MW518.65 g/mol
LogP8.05
Rot. Bonds14

About 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol

4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol (PubChem CID 118013728) has the molecular formula C35H34O4 and a molecular weight of 518.65 g/mol. Its IUPAC name is 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
PubChem CID118013728
Molecular FormulaC35H34O4
Molecular Weight518.65 g/mol
Exact Mass518.25
IUPAC Name4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
SMILESC=CCOc1ccc(C(c2ccc(O)cc2)C(c2ccc(OCC=C)cc2)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C35H34O4/c1-4-23-37-31-17-9-27(10-18-31)34(26-7-15-30(36)16-8-26)35(28-11-19-32(20-12-28)38-24-5-2)29-13-21-33(22-14-29)39-25-6-3/h4-22,34-36H,1-3,23-25H2
InChIKeyRSLXZPHPYZGJBF-UHFFFAOYSA-N
XLogP8.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
phenol;4-prop-2-enoxyphenol
CID 70303777
4-[(4-prop-2-enoxyphenyl)methyl]phenol
CID 68636078
2-[[4-[1,2-bis(4-butoxyphenyl)-2-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1,2-bis[4-(oxiran-2-ylmethoxy)phenyl]-2-(4-prop-2-enoxyphenyl)ethyl]phenoxy]methyl]oxirane;3-bromoprop-1-ene;2-[[4-[1-(4-butoxyphenyl)-2,2-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-(chloromethyl)oxirane;2-[[4-[1,2,2-tris(4-butoxyphenyl)ethyl]phenoxy]methyl]oxirane;4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol
CID 158589493
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
4-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]phenol
CID 61237649
3-[2-(4-prop-2-enoxyphenyl)propyl]phenol
CID 57048613
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
CID 143199610
4-[(E)-2-[3,5-bis(prop-2-enoxy)phenyl]ethenyl]phenol
CID 174686350
4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
CID 175377266

Frequently Asked Questions

What is the IUPAC name of 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol?
The IUPAC name of 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol (CID 118013728) is 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol is C=CCOc1ccc(C(c2ccc(O)cc2)C(c2ccc(OCC=C)cc2)c2ccc(OCC=C)cc2)cc1.
What is the InChIKey of 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol?
The InChIKey is RSLXZPHPYZGJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O4/c1-4-23-37-31-17-9-27(10-18-31)34(26-7-15-30(36)16-8-26)35(28-11-19-32(20-12-28)38-24-5-2)29-13-21-33(22-14-29)39-25-6-3/h4-22,34-36H,1-3,23-25H2.
What are the key properties of 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol?
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol has a molecular weight of 518.65 g/mol, XLogP of 8.05, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol is sourced from PubChem (CID 118013728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).