1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol

C40H34O4 — CID 132965988

IUPAC1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C40H34O4/c41-39(33-21-9-3-10-22-33,35-25-13-15-27-37(35)43-29-31-17-5-1-6-18-31)40(42,34-23-11-4-12-24-34)36-26-14-16-28-38(36)44-30-32-19-7-2-8-20-32/h1-28,41-42H,29-30H2
InChIKeyYDOAYGNJPDPBPH-UHFFFAOYSA-N
MW578.71 g/mol
LogP8.02
Rot. Bonds11

About 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol

1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol (PubChem CID 132965988) has the molecular formula C40H34O4 and a molecular weight of 578.71 g/mol. Its IUPAC name is 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
PubChem CID132965988
Molecular FormulaC40H34O4
Molecular Weight578.71 g/mol
Exact Mass578.25
IUPAC Name1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
SMILESOC(c1ccccc1)(c1ccccc1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C40H34O4/c41-39(33-21-9-3-10-22-33,35-25-13-15-27-37(35)43-29-31-17-5-1-6-18-31)40(42,34-23-11-4-12-24-34)36-26-14-16-28-38(36)44-30-32-19-7-2-8-20-32/h1-28,41-42H,29-30H2
InChIKeyYDOAYGNJPDPBPH-UHFFFAOYSA-N
XLogP8.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.71
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
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1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
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ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol?
The IUPAC name of 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol (CID 132965988) is 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol is OC(c1ccccc1)(c1ccccc1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol?
The InChIKey is YDOAYGNJPDPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O4/c41-39(33-21-9-3-10-22-33,35-25-13-15-27-37(35)43-29-31-17-5-1-6-18-31)40(42,34-23-11-4-12-24-34)36-26-14-16-28-38(36)44-30-32-19-7-2-8-20-32/h1-28,41-42H,29-30H2.
What are the key properties of 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol?
1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol has a molecular weight of 578.71 g/mol, XLogP of 8.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 132965988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).