4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol

C23H24O3 — CID 118667410

IUPAC4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)c2cc(C)c(O)c(C)c2)ccc1O
InChIInChI=1S/C23H24O3/c1-13-9-17(5-7-20(13)24)22(18-6-8-21(25)14(2)10-18)19-11-15(3)23(26)16(4)12-19/h5-12,22,24-26H,1-4H3
InChIKeyKFYGNIYQRQWJJT-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.22
Rot. Bonds3

About 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol

4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol (PubChem CID 118667410) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
PubChem CID118667410
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)c2cc(C)c(O)c(C)c2)ccc1O
InChIInChI=1S/C23H24O3/c1-13-9-17(5-7-20(13)24)22(18-6-8-21(25)14(2)10-18)19-11-15(3)23(26)16(4)12-19/h5-12,22,24-26H,1-4H3
InChIKeyKFYGNIYQRQWJJT-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-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 167664595
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
2,2-bis(4-hydroxy-3-methylphenyl)acetic acid
CID 19899945
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;4-[(4-hydroxy-3-methylphenyl)-phenylmethyl]-2-methylphenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 167558722
4-[(3,4-dihydroxyphenyl)-[4-[2-(3,4-dihydroxyphenyl)propan-2-yl]phenyl]methyl]benzene-1,2-diol;4-[(3,4-dimethylphenyl)-[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]methyl]-2-methylphenol;4-[2-[4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethylphenyl)ethyl]phenyl]propan-2-yl]-2,6-dimethylphenol
CID 158190280
4-[[4-[bis(4-hydroxy-3-methyl-5-phenylphenyl)methyl]phenyl]-(4-hydroxy-3-methyl-5-phenylphenyl)methyl]-2-methyl-6-phenylphenol
CID 139962444

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol (CID 118667410) is 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol is Cc1cc(C(c2ccc(O)c(C)c2)c2cc(C)c(O)c(C)c2)ccc1O.
What is the InChIKey of 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is KFYGNIYQRQWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-13-9-17(5-7-20(13)24)22(18-6-8-21(25)14(2)10-18)19-11-15(3)23(26)16(4)12-19/h5-12,22,24-26H,1-4H3.
What are the key properties of 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol?
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-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 4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 118667410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).