3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol

C32H32O4 — CID 177306952

IUPAC3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C32H32O4/c33-21-7-23-35-29-17-13-27(14-18-29)32(28-15-19-30(20-16-28)36-24-8-22-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-20,33-34H,7-8,21-24H2
InChIKeyUBBCZJOLKBZVAZ-UHFFFAOYSA-N
MW480.60 g/mol
LogP6.22
Rot. Bonds12

About 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol

3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol (PubChem CID 177306952) has the molecular formula C32H32O4 and a molecular weight of 480.60 g/mol. Its IUPAC name is 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
PubChem CID177306952
Molecular FormulaC32H32O4
Molecular Weight480.60 g/mol
Exact Mass480.23
IUPAC Name3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
SMILESOCCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C32H32O4/c33-21-7-23-35-29-17-13-27(14-18-29)32(28-15-19-30(20-16-28)36-24-8-22-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-20,33-34H,7-8,21-24H2
InChIKeyUBBCZJOLKBZVAZ-UHFFFAOYSA-N
XLogP6.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.60
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
1-[(Z)-2-chloro-1,2-diphenylethenyl]-4-(5-chloropentoxy)benzene
CID 21469834
4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
CID 141459269
7-phenoxyheptan-1-ol
CID 15856264
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
3-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]propan-1-ol
CID 70377420
1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
4-[4-[(E)-1,2-diphenyl-2-[4-[4-(triethylazaniumyl)butoxy]phenyl]ethenyl]phenoxy]butyl-triethylazanium dibromide
CID 159603734

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol (CID 177306952) is 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol is OCCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol?
The InChIKey is UBBCZJOLKBZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4/c33-21-7-23-35-29-17-13-27(14-18-29)32(28-15-19-30(20-16-28)36-24-8-22-34)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-20,33-34H,7-8,21-24H2.
What are the key properties of 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol?
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol has a molecular weight of 480.60 g/mol, XLogP of 6.22, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol is sourced from PubChem (CID 177306952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).