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

C32H30O4 — CID 169075773

IUPAC3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2cccc3ccccc23)c(OCCCO)cc1-c1cccc2ccccc12
InChIInChI=1S/C32H30O4/c33-17-7-19-35-31-22-30(28-16-6-12-24-10-2-4-14-26(24)28)32(36-20-8-18-34)21-29(31)27-15-5-11-23-9-1-3-13-25(23)27/h1-6,9-16,21-22,33-34H,7-8,17-20H2
InChIKeyOXIHFYIUNCJEMB-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.85
Rot. Bonds10

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

3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol (PubChem CID 169075773) 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-1-ylphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
PubChem CID169075773
Molecular FormulaC32H30O4
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
SMILESOCCCOc1cc(-c2cccc3ccccc23)c(OCCCO)cc1-c1cccc2ccccc12
InChIInChI=1S/C32H30O4/c33-17-7-19-35-31-22-30(28-16-6-12-24-10-2-4-14-26(24)28)32(36-20-8-18-34)21-29(31)27-15-5-11-23-9-1-3-13-25(23)27/h1-6,9-16,21-22,33-34H,7-8,17-20H2
InChIKeyOXIHFYIUNCJEMB-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-(3-hydroxypropoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 169075770
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-(2-hydroxyethoxy)-2,5-dinaphthalen-2-ylphenoxy]propan-1-ol
CID 170219538
disodium;3-[2,4-dinaphthalen-1-yl-5-(3-sulfonatopropoxy)phenoxy]propane-1-sulfonate
CID 102495313
2-[4-[4-(2-hydroxyethoxy)-3,5-dinaphthalen-1-ylphenyl]sulfanyl-2,6-dinaphthalen-1-ylphenoxy]ethanol
CID 167506448
6-[4-(6-hydroxyhexoxy)-2,5-bis(3-naphthalen-2-ylphenyl)phenoxy]hexan-1-ol
CID 169075760
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 142536432
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol?
The IUPAC name of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol (CID 169075773) is 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol is OCCCOc1cc(-c2cccc3ccccc23)c(OCCCO)cc1-c1cccc2ccccc12.
What is the InChIKey of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol?
The InChIKey is OXIHFYIUNCJEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O4/c33-17-7-19-35-31-22-30(28-16-6-12-24-10-2-4-14-26(24)28)32(36-20-8-18-34)21-29(31)27-15-5-11-23-9-1-3-13-25(23)27/h1-6,9-16,21-22,33-34H,7-8,17-20H2.
What are the key properties of 3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol?
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-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-1-ylphenoxy]propan-1-ol is sourced from PubChem (CID 169075773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).