1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol

C24H28O3 — CID 69221223

IUPAC1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol
SMILESCC(O)C(O)(c1ccccc1)c1ccccc1.Cc1ccc(O)c(C)c1C
InChIInChI=1S/C15H16O2.C9H12O/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-6-4-5-9(10)8(3)7(6)2/h2-12,16-17H,1H3;4-5,10H,1-3H3
InChIKeyURCHKLWSLXJDMV-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.62
Rot. Bonds3

About 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol

1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol (PubChem CID 69221223) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol.

Molecular Properties

Compound Name1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol
PubChem CID69221223
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol
SMILESCC(O)C(O)(c1ccccc1)c1ccccc1.Cc1ccc(O)c(C)c1C
InChIInChI=1S/C15H16O2.C9H12O/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-6-4-5-9(10)8(3)7(6)2/h2-12,16-17H,1H3;4-5,10H,1-3H3
InChIKeyURCHKLWSLXJDMV-UHFFFAOYSA-N
XLogP4.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ethanol;2,3,4-trimethylphenol
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2,3-dimethylphenol;bis(2-methylphenol)
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CID 19358994
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
CID 11514371
1,1-bis(4-fluorophenyl)propane-1,2-diol
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(1S)-1-(2-methoxy-3,4,6-trimethylphenyl)-2-methyl-1-phenylpropan-1-ol
CID 129384114

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol?
The IUPAC name of 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol (CID 69221223) is 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol.
What is the SMILES notation for 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol?
The canonical SMILES for 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol is CC(O)C(O)(c1ccccc1)c1ccccc1.Cc1ccc(O)c(C)c1C.
What is the InChIKey of 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol?
The InChIKey is URCHKLWSLXJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C9H12O/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-6-4-5-9(10)8(3)7(6)2/h2-12,16-17H,1H3;4-5,10H,1-3H3.
What are the key properties of 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol?
1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol has a molecular weight of 364.49 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropane-1,2-diol;2,3,4-trimethylphenol is sourced from PubChem (CID 69221223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).