2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol

C22H23OP — CID 134164611

IUPAC2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol
SMILESCc1cc(Cc2ccc(-c3ccc(CP)cc3)cc2)cc(C)c1O
InChIInChI=1S/C22H23OP/c1-15-11-19(12-16(2)22(15)23)13-17-3-7-20(8-4-17)21-9-5-18(14-24)6-10-21/h3-12,23H,13-14,24H2,1-2H3
InChIKeyUAHDLGMWPXGDEI-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.64
Rot. Bonds4

About 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol

2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol (PubChem CID 134164611) has the molecular formula C22H23OP and a molecular weight of 334.40 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol
PubChem CID134164611
Molecular FormulaC22H23OP
Molecular Weight334.40 g/mol
Exact Mass334.15
IUPAC Name2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol
SMILESCc1cc(Cc2ccc(-c3ccc(CP)cc3)cc2)cc(C)c1O
InChIInChI=1S/C22H23OP/c1-15-11-19(12-16(2)22(15)23)13-17-3-7-20(8-4-17)21-9-5-18(14-24)6-10-21/h3-12,23H,13-14,24H2,1-2H3
InChIKeyUAHDLGMWPXGDEI-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
[4-[3-methyl-5-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]methylphosphane
CID 135225292
5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
CID 144764080
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
CID 158449164
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol (CID 134164611) is 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol is Cc1cc(Cc2ccc(-c3ccc(CP)cc3)cc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol?
The InChIKey is UAHDLGMWPXGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23OP/c1-15-11-19(12-16(2)22(15)23)13-17-3-7-20(8-4-17)21-9-5-18(14-24)6-10-21/h3-12,23H,13-14,24H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol?
2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol has a molecular weight of 334.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[4-[4-(phosphanylmethyl)phenyl]phenyl]methyl]phenol is sourced from PubChem (CID 134164611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).