1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol

C35H32O2 — CID 68524089

IUPAC1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol
SMILESCC(O)C1(Oc2ccc(C=Cc3ccccc3)c(C=Cc3ccccc3)c2C=Cc2ccccc2)CC1
InChIInChI=1S/C35H32O2/c1-27(36)35(25-26-35)37-34-24-21-31(20-17-28-11-5-2-6-12-28)32(22-18-29-13-7-3-8-14-29)33(34)23-19-30-15-9-4-10-16-30/h2-24,27,36H,25-26H2,1H3
InChIKeyGYOAZHVHWQPKRA-UHFFFAOYSA-N
MW484.64 g/mol
LogP8.49
Rot. Bonds9

About 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol

1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol (PubChem CID 68524089) has the molecular formula C35H32O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol
PubChem CID68524089
Molecular FormulaC35H32O2
Molecular Weight484.64 g/mol
Exact Mass484.24
IUPAC Name1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol
SMILESCC(O)C1(Oc2ccc(C=Cc3ccccc3)c(C=Cc3ccccc3)c2C=Cc2ccccc2)CC1
InChIInChI=1S/C35H32O2/c1-27(36)35(25-26-35)37-34-24-21-31(20-17-28-11-5-2-6-12-28)32(22-18-29-13-7-3-8-14-29)33(34)23-19-30-15-9-4-10-16-30/h2-24,27,36H,25-26H2,1H3
InChIKeyGYOAZHVHWQPKRA-UHFFFAOYSA-N
XLogP8.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,3,4-tris(2-phenylethenyl)phenoxy]propan-1-ol
CID 137440291
[2,3,4-tris[(E)-2-phenylethenyl]phenyl] phosphate
CID 18522799
CID 172791684
CID 172791684
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
1-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 158078399
but-2-enedioic acid;2,3,4-tris(2-phenylethenyl)phenol
CID 159401430
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-[1,6-diphenyl-4-(2-phenylethenyl)hexa-1,3,5-trien-3-yl]-2,3,4-tris(2-phenylethenyl)benzene
CID 57279966
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-[2,3-bis[(E)-2-phenylethenyl]phenoxy]ethanol
CID 162493938
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol (CID 68524089) is 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol is CC(O)C1(Oc2ccc(C=Cc3ccccc3)c(C=Cc3ccccc3)c2C=Cc2ccccc2)CC1.
What is the InChIKey of 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol?
The InChIKey is GYOAZHVHWQPKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O2/c1-27(36)35(25-26-35)37-34-24-21-31(20-17-28-11-5-2-6-12-28)32(22-18-29-13-7-3-8-14-29)33(34)23-19-30-15-9-4-10-16-30/h2-24,27,36H,25-26H2,1H3.
What are the key properties of 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol?
1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol has a molecular weight of 484.64 g/mol, XLogP of 8.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,3,4-tris(2-phenylethenyl)phenoxy]cyclopropyl]ethanol is sourced from PubChem (CID 68524089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).