2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol

C39H36O4 — CID 175765558

IUPAC2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
SMILESCC(C)(c1c(OCCO)ccc2cc(-c3ccccc3)ccc12)c1c(OCCO)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C39H36O4/c1-39(2,37-33-17-13-29(27-9-5-3-6-10-27)25-31(33)15-19-35(37)42-23-21-40)38-34-18-14-30(28-11-7-4-8-12-28)26-32(34)16-20-36(38)43-24-22-41/h3-20,25-26,40-41H,21-24H2,1-2H3
InChIKeyHGVLFXTVRIUJJX-UHFFFAOYSA-N
MW568.71 g/mol
LogP8.40
Rot. Bonds10

About 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol

2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol (PubChem CID 175765558) has the molecular formula C39H36O4 and a molecular weight of 568.71 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
PubChem CID175765558
Molecular FormulaC39H36O4
Molecular Weight568.71 g/mol
Exact Mass568.26
IUPAC Name2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol
SMILESCC(C)(c1c(OCCO)ccc2cc(-c3ccccc3)ccc12)c1c(OCCO)ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C39H36O4/c1-39(2,37-33-17-13-29(27-9-5-3-6-10-27)25-31(33)15-19-35(37)42-23-21-40)38-34-18-14-30(28-11-7-4-8-12-28)26-32(34)16-20-36(38)43-24-22-41/h3-20,25-26,40-41H,21-24H2,1-2H3
InChIKeyHGVLFXTVRIUJJX-UHFFFAOYSA-N
XLogP8.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.71
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-tert-butyl-2,6-diphenylnaphthalene
CID 169050130
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
2-[1-[2-(2-hydroxyethoxy)-6-(3-isocyanophenyl)naphthalen-1-yl]-6-(3-isocyanophenyl)naphthalen-2-yl]oxyethanol
CID 155635706
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-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 176584477
6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
CID 141246680
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
[2-(2-hydroxyethoxy)-5-(4-phenylphenyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200774
2-[1-[2-(2-methoxyethoxy)-6-naphthalen-1-ylnaphthalen-1-yl]-6-naphthalen-1-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethyl acetate;2-[1-[2-(2-methoxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethyl acetate
CID 158566083

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol (CID 175765558) is 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol is CC(C)(c1c(OCCO)ccc2cc(-c3ccccc3)ccc12)c1c(OCCO)ccc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol?
The InChIKey is HGVLFXTVRIUJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36O4/c1-39(2,37-33-17-13-29(27-9-5-3-6-10-27)25-31(33)15-19-35(37)42-23-21-40)38-34-18-14-30(28-11-7-4-8-12-28)26-32(34)16-20-36(38)43-24-22-41/h3-20,25-26,40-41H,21-24H2,1-2H3.
What are the key properties of 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol?
2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol has a molecular weight of 568.71 g/mol, XLogP of 8.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]propan-2-yl]-6-phenylnaphthalen-2-yl]oxyethanol is sourced from PubChem (CID 175765558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).