2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane

C23H27O3P — CID 174155977

IUPAC2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.P
InChIInChI=1S/C23H24O3.H3P/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;/h4-11,24-26H,12-13H2,1-3H3;1H3
InChIKeyTUXYYAGINSZCJJ-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.97
Rot. Bonds4

About 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane

2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane (PubChem CID 174155977) has the molecular formula C23H27O3P and a molecular weight of 382.44 g/mol. Its IUPAC name is 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane.

Molecular Properties

Compound Name2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
PubChem CID174155977
Molecular FormulaC23H27O3P
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
SMILESCc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.P
InChIInChI=1S/C23H24O3.H3P/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;/h4-11,24-26H,12-13H2,1-3H3;1H3
InChIKeyTUXYYAGINSZCJJ-UHFFFAOYSA-N
XLogP4.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 18949647
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
CID 15574255
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
CID 14899408
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
CID 157135640
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane?
The IUPAC name of 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane (CID 174155977) is 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane.
What is the SMILES notation for 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane?
The canonical SMILES for 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane is Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.P.
What is the InChIKey of 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane?
The InChIKey is TUXYYAGINSZCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3.H3P/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;/h4-11,24-26H,12-13H2,1-3H3;1H3.
What are the key properties of 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane?
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane has a molecular weight of 382.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane is sourced from PubChem (CID 174155977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).