2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde

C22H20O3 — CID 88601459

IUPAC2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
SMILESCc1c(O)cccc1C(C=O)(c1ccccc1)c1cccc(O)c1C
InChIInChI=1S/C22H20O3/c1-15-18(10-6-12-20(15)24)22(14-23,17-8-4-3-5-9-17)19-11-7-13-21(25)16(19)2/h3-14,24-25H,1-2H3
InChIKeyVLAGQLHDKQJGHJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.25
Rot. Bonds4

About 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde

2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde (PubChem CID 88601459) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
PubChem CID88601459
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde
SMILESCc1c(O)cccc1C(C=O)(c1ccccc1)c1cccc(O)c1C
InChIInChI=1S/C22H20O3/c1-15-18(10-6-12-20(15)24)22(14-23,17-8-4-3-5-9-17)19-11-7-13-21(25)16(19)2/h3-14,24-25H,1-2H3
InChIKeyVLAGQLHDKQJGHJ-UHFFFAOYSA-N
XLogP4.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-hydroxyphenyl)-2-(3-methyl-1H-indol-2-yl)-2-phenylacetaldehyde
CID 176507329
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
2-(2,3,4,5,6-pentamethylphenyl)-2-phenylpropanal
CID 173351548
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
2-methylbenzene-1,3-diol
CID 139200813
2-methylbenzene-1,3-diol;phenol
CID 161016987
3-[(2-hydroxy-3-methylphenyl)-diphenylmethyl]benzene-1,2-diol
CID 118041075
2-hydroxy-3-tritylbenzaldehyde
CID 18676816
2-(1-hydroxy-2-oxo-1-phenylethyl)benzoic acid
CID 139999915
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
4-(2-oxo-1,1-diphenylethyl)benzonitrile
CID 21416520

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde (CID 88601459) is 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde is Cc1c(O)cccc1C(C=O)(c1ccccc1)c1cccc(O)c1C.
What is the InChIKey of 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde?
The InChIKey is VLAGQLHDKQJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-15-18(10-6-12-20(15)24)22(14-23,17-8-4-3-5-9-17)19-11-7-13-21(25)16(19)2/h3-14,24-25H,1-2H3.
What are the key properties of 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde?
2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde has a molecular weight of 332.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-hydroxy-2-methylphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 88601459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).