3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol

C31H28O4 — CID 170219538

IUPAC3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2ccc3ccccc3c2)c(OCCO)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C31H28O4/c32-14-5-16-34-30-20-29(27-13-11-23-7-2-4-9-25(23)19-27)31(35-17-15-33)21-28(30)26-12-10-22-6-1-3-8-24(22)18-26/h1-4,6-13,18-21,32-33H,5,14-17H2
InChIKeyIYWYRUXOOPMLRH-UHFFFAOYSA-N
MW464.56 g/mol
LogP6.46
Rot. Bonds9

About 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol

3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol (PubChem CID 170219538) has the molecular formula C31H28O4 and a molecular weight of 464.56 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
PubChem CID170219538
Molecular FormulaC31H28O4
Molecular Weight464.56 g/mol
Exact Mass464.20
IUPAC Name3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2ccc3ccccc3c2)c(OCCO)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C31H28O4/c32-14-5-16-34-30-20-29(27-13-11-23-7-2-4-9-25(23)19-27)31(35-17-15-33)21-28(30)26-12-10-22-6-1-3-8-24(22)18-26/h1-4,6-13,18-21,32-33H,5,14-17H2
InChIKeyIYWYRUXOOPMLRH-UHFFFAOYSA-N
XLogP6.46
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 169075770
6-[4-(6-hydroxyhexoxy)-2,5-bis(3-naphthalen-2-ylphenyl)phenoxy]hexan-1-ol
CID 169075760
3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropan-1-ol
CID 139777486
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
CID 169075773
2-[4-[2-[4-[2-[2-[4-[2-[4-(2-hydroxyethoxy)-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethoxymethoxy]ethoxy]-3-naphthalen-2-ylphenyl]propan-2-yl]-2-naphthalen-2-ylphenoxy]ethanol
CID 167508101
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175729954
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
CID 142536393
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The IUPAC name of 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol (CID 170219538) is 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol is OCCCOc1cc(-c2ccc3ccccc3c2)c(OCCO)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The InChIKey is IYWYRUXOOPMLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O4/c32-14-5-16-34-30-20-29(27-13-11-23-7-2-4-9-25(23)19-27)31(35-17-15-33)21-28(30)26-12-10-22-6-1-3-8-24(22)18-26/h1-4,6-13,18-21,32-33H,5,14-17H2.
What are the key properties of 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol has a molecular weight of 464.56 g/mol, XLogP of 6.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol is sourced from PubChem (CID 170219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).