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

C22H22O3 — CID 22925950

IUPAC2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
SMILESCc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1C
InChIInChI=1S/C22H22O3/c1-14-11-18(12-16-3-7-19(23)8-4-16)22(25)21(15(14)2)13-17-5-9-20(24)10-6-17/h3-11,23-25H,12-13H2,1-2H3
InChIKeyMHYCCESUHWMZHJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.60
Rot. Bonds4

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

2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol (PubChem CID 22925950) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol.

Molecular Properties

Compound Name2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
PubChem CID22925950
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
SMILESCc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1C
InChIInChI=1S/C22H22O3/c1-14-11-18(12-16-3-7-19(23)8-4-16)22(25)21(15(14)2)13-17-5-9-20(24)10-6-17/h3-11,23-25H,12-13H2,1-2H3
InChIKeyMHYCCESUHWMZHJ-UHFFFAOYSA-N
XLogP4.60
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol?
The IUPAC name of 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol (CID 22925950) is 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol.
What is the SMILES notation for 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol?
The canonical SMILES for 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol is Cc1cc(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c1C.
What is the InChIKey of 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol?
The InChIKey is MHYCCESUHWMZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-14-11-18(12-16-3-7-19(23)8-4-16)22(25)21(15(14)2)13-17-5-9-20(24)10-6-17/h3-11,23-25H,12-13H2,1-2H3.
What are the key properties of 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol?
2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol has a molecular weight of 334.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol is sourced from PubChem (CID 22925950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).