2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol

C51H44O4 — CID 176584477

IUPAC2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C51H44O4/c1-51(2,41-23-25-49(54-29-27-52)47(33-41)39-17-7-15-37(31-39)45-21-9-13-35-11-3-5-19-43(35)45)42-24-26-50(55-30-28-53)48(34-42)40-18-8-16-38(32-40)46-22-10-14-36-12-4-6-20-44(36)46/h3-26,31-34,52-53H,27-30H2,1-2H3
InChIKeyYLBNQWIWPSTTRU-UHFFFAOYSA-N
MW720.91 g/mol
LogP11.73
Rot. Bonds12

About 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol

2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol (PubChem CID 176584477) has the molecular formula C51H44O4 and a molecular weight of 720.91 g/mol. Its IUPAC name is 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
PubChem CID176584477
Molecular FormulaC51H44O4
Molecular Weight720.91 g/mol
Exact Mass720.32
IUPAC Name2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
SMILESCC(C)(c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C51H44O4/c1-51(2,41-23-25-49(54-29-27-52)47(33-41)39-17-7-15-37(31-39)45-21-9-13-35-11-3-5-19-43(35)45)42-24-26-50(55-30-28-53)48(34-42)40-18-8-16-38(32-40)46-22-10-14-36-12-4-6-20-44(36)46/h3-26,31-34,52-53H,27-30H2,1-2H3
InChIKeyYLBNQWIWPSTTRU-UHFFFAOYSA-N
XLogP11.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.91
LogP ≤ 511.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-dibenzofuran-2-yl-4-[1-[3-dibenzofuran-2-yl-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
CID 176584558
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-phenylphenyl]propan-2-yl]-2-phenylphenoxy]ethyl 2-methylprop-2-enoate
CID 18755717
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
3-[4-[[4-(3-hydroxypropoxy)-3-phenylphenyl]-diphenylmethyl]-2-phenylphenoxy]propan-1-ol
CID 141468799
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 142536432
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(quinolin-8-yl)phenyl]propan-2-yl]-2,6-di(quinolin-8-yl)phenoxy]ethanol
CID 174196840
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
CID 169075773
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol?
The IUPAC name of 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol (CID 176584477) is 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol is CC(C)(c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1)c1ccc(OCCO)c(-c2cccc(-c3cccc4ccccc34)c2)c1.
What is the InChIKey of 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol?
The InChIKey is YLBNQWIWPSTTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44O4/c1-51(2,41-23-25-49(54-29-27-52)47(33-41)39-17-7-15-37(31-39)45-21-9-13-35-11-3-5-19-43(35)45)42-24-26-50(55-30-28-53)48(34-42)40-18-8-16-38(32-40)46-22-10-14-36-12-4-6-20-44(36)46/h3-26,31-34,52-53H,27-30H2,1-2H3.
What are the key properties of 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol?
2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol has a molecular weight of 720.91 g/mol, XLogP of 11.73, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol is sourced from PubChem (CID 176584477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).