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

C32H30O4 — CID 169075770

IUPAC3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2ccc3ccccc3c2)c(OCCCO)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C32H30O4/c33-15-5-17-35-31-22-30(28-14-12-24-8-2-4-10-26(24)20-28)32(36-18-6-16-34)21-29(31)27-13-11-23-7-1-3-9-25(23)19-27/h1-4,7-14,19-22,33-34H,5-6,15-18H2
InChIKeyUTPFXICCBYIWNF-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.85
Rot. Bonds10

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

3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol (PubChem CID 169075770) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
PubChem CID169075770
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2ccc3ccccc3c2)c(OCCCO)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C32H30O4/c33-15-5-17-35-31-22-30(28-14-12-24-8-2-4-10-26(24)20-28)32(36-18-6-16-34)21-29(31)27-13-11-23-7-1-3-9-25(23)19-27/h1-4,7-14,19-22,33-34H,5-6,15-18H2
InChIKeyUTPFXICCBYIWNF-UHFFFAOYSA-N
XLogP6.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.85
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-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 170219538
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
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175729954
3-[4-[9-[4-(3-hydroxypropoxy)phenyl]-2-naphthalen-2-ylfluoren-9-yl]phenoxy]propan-1-ol
CID 171457350
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The IUPAC name of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol (CID 169075770) is 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol is OCCCOc1cc(-c2ccc3ccccc3c2)c(OCCCO)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
The InChIKey is UTPFXICCBYIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O4/c33-15-5-17-35-31-22-30(28-14-12-24-8-2-4-10-26(24)20-28)32(36-18-6-16-34)21-29(31)27-13-11-23-7-1-3-9-25(23)19-27/h1-4,7-14,19-22,33-34H,5-6,15-18H2.
What are the key properties of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol?
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol has a molecular weight of 478.59 g/mol, XLogP of 6.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol is sourced from PubChem (CID 169075770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).