1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol

C33H30O2 — CID 137440291

IUPAC1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
SMILESCCC(O)Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C33H30O2/c1-2-33(34)35-32-25-22-29(21-18-26-12-6-3-7-13-26)30(23-19-27-14-8-4-9-15-27)31(32)24-20-28-16-10-5-11-17-28/h3-25,33-34H,2H2,1H3
InChIKeyNFDRKFLQIIMLNO-UHFFFAOYSA-N
MW458.60 g/mol
LogP8.31
Rot. Bonds9

About 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol

1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol (PubChem CID 137440291) has the molecular formula C33H30O2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
PubChem CID137440291
Molecular FormulaC33H30O2
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
SMILESCCC(O)Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1
InChIInChI=1S/C33H30O2/c1-2-33(34)35-32-25-22-29(21-18-26-12-6-3-7-13-26)30(23-19-27-14-8-4-9-15-27)31(32)24-20-28-16-10-5-11-17-28/h3-25,33-34H,2H2,1H3
InChIKeyNFDRKFLQIIMLNO-UHFFFAOYSA-N
XLogP8.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol
CID 68524089
[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
CID 18522799
CID 172791684
CID 172791684
CID 67900431
CID 67900431
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
azanium;ethoxy sulfate;2,3,4-tris[(E)-2-phenylethenyl]phenol
CID 22486755
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
3-(2-phenylethenyl)-2,6-dipropoxyphenol
CID 174666093
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol?
The IUPAC name of 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol (CID 137440291) is 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol.
What is the SMILES notation for 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol?
The canonical SMILES for 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol is CCC(O)Oc1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1C=Cc1ccccc1.
What is the InChIKey of 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol?
The InChIKey is NFDRKFLQIIMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2/c1-2-33(34)35-32-25-22-29(21-18-26-12-6-3-7-13-26)30(23-19-27-14-8-4-9-15-27)31(32)24-20-28-16-10-5-11-17-28/h3-25,33-34H,2H2,1H3.
What are the key properties of 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol?
1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol has a molecular weight of 458.60 g/mol, XLogP of 8.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol is sourced from PubChem (CID 137440291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).