1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol

C27H24O3 — CID 70611668

IUPAC1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
SMILESCOc1ccc(C(O)(c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H24O3/c1-30-25-19-17-24(18-20-25)27(29,23-15-9-4-10-16-23)26(28,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,28-29H,1H3
InChIKeyWHFXDVSOFPEIIX-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol

1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol (PubChem CID 70611668) has the molecular formula C27H24O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
PubChem CID70611668
Molecular FormulaC27H24O3
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Name1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
SMILESCOc1ccc(C(O)(c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H24O3/c1-30-25-19-17-24(18-20-25)27(29,23-15-9-4-10-16-23)26(28,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,28-29H,1H3
InChIKeyWHFXDVSOFPEIIX-UHFFFAOYSA-N
XLogP4.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
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2,2,3,3,3-pentafluoro-1-(4-methoxyphenyl)-1-(3-phenylphenyl)propan-1-ol
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1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
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1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
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1-methoxy-4-[nitroso(diphenyl)methyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol?
The IUPAC name of 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol (CID 70611668) is 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol?
The canonical SMILES for 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol is COc1ccc(C(O)(c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol?
The InChIKey is WHFXDVSOFPEIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3/c1-30-25-19-17-24(18-20-25)27(29,23-15-9-4-10-16-23)26(28,21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20,28-29H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol?
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol has a molecular weight of 396.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol is sourced from PubChem (CID 70611668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).