2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol

C23H24O3 — CID 22338935

IUPAC2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(C(c2cccc(O)c2)c2c(C)cc(C)cc2O)c(O)c1
InChIInChI=1S/C23H24O3/c1-13-8-15(3)21(19(25)10-13)23(17-6-5-7-18(24)12-17)22-16(4)9-14(2)11-20(22)26/h5-12,23-26H,1-4H3
InChIKeyNFTODWFLHQDGKM-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.22
Rot. Bonds3

About 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol

2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol (PubChem CID 22338935) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
PubChem CID22338935
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol
SMILESCc1cc(C)c(C(c2cccc(O)c2)c2c(C)cc(C)cc2O)c(O)c1
InChIInChI=1S/C23H24O3/c1-13-8-15(3)21(19(25)10-13)23(17-6-5-7-18(24)12-17)22-16(4)9-14(2)11-20(22)26/h5-12,23-26H,1-4H3
InChIKeyNFTODWFLHQDGKM-UHFFFAOYSA-N
XLogP5.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(2-hydroxy-4,6-dimethylphenyl)methyl]benzene-1,2-diol
CID 22338943
3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
CID 43748567
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)-(3-hydroxyphenyl)methyl]-6-methylpyran-2-one
CID 54677203
2-[(1S)-2-hydroxy-1-phenylethyl]-3,5-dimethylphenol
CID 23628862
4-[(3-hydroxyphenyl)-[3-(4-methylphenyl)-5-oxo-1,2-dihydropyrazol-4-yl]methyl]-5-(4-methylphenyl)-1,2-dihydropyrazol-3-one
CID 126373279
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
3-methylphenol
CID 67925627
(3-iodophenyl)-(2,4,6-trimethylphenyl)methanol
CID 61089059
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
2-[(1S)-1-aminopropyl]-3,5-dimethylphenol
CID 130840850
3,5-dimethyl-2-[(E)-pent-3-en-2-yl]phenol
CID 131240979

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol (CID 22338935) is 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol is Cc1cc(C)c(C(c2cccc(O)c2)c2c(C)cc(C)cc2O)c(O)c1.
What is the InChIKey of 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol?
The InChIKey is NFTODWFLHQDGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-13-8-15(3)21(19(25)10-13)23(17-6-5-7-18(24)12-17)22-16(4)9-14(2)11-20(22)26/h5-12,23-26H,1-4H3.
What are the key properties of 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol?
2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol has a molecular weight of 348.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4,6-dimethylphenyl)-(3-hydroxyphenyl)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 22338935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).