4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol

C22H32OP2 — CID 71191488

IUPAC4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1c(C)cccc1CPC)c1cc(C)ccc1O
InChIInChI=1S/C22H32OP2/c1-6-13-22(7-2,19-14-16(3)11-12-20(19)23)25-21-17(4)9-8-10-18(21)15-24-5/h8-12,14,23-25H,6-7,13,15H2,1-5H3
InChIKeyQOWWJNPJMGCTMO-UHFFFAOYSA-N
MW374.45 g/mol
LogP6.23
Rot. Bonds8

About 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol

4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol (PubChem CID 71191488) has the molecular formula C22H32OP2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol
PubChem CID71191488
Molecular FormulaC22H32OP2
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol
SMILESCCCC(CC)(Pc1c(C)cccc1CPC)c1cc(C)ccc1O
InChIInChI=1S/C22H32OP2/c1-6-13-22(7-2,19-14-16(3)11-12-20(19)23)25-21-17(4)9-8-10-18(21)15-24-5/h8-12,14,23-25H,6-7,13,15H2,1-5H3
InChIKeyQOWWJNPJMGCTMO-UHFFFAOYSA-N
XLogP6.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.23
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

2-[3-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylhexan-3-yl]-4-methylphenol
CID 71191702
2-[3-[2-methyl-6-(trifluoromethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191689
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
2,4-dimethyl-6-[3-[2-(methylaminomethyl)phenyl]phosphanylhexan-3-yl]phenol
CID 71191937
2-tert-butyl-6-[3-[2-[[ethyl(methyl)amino]methyl]-6-methylphenyl]phosphanylpentan-3-yl]-4-methylphenol
CID 88969217
[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356515
1-[2-[3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356303
2-tert-butyl-4-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;2-methyl-6-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol;4-methyl-2-[2-methyl-6-(phenylphosphanylmethyl)phenyl]phosphanylphenol
CID 162035328
1-[2-[3-(3,5-dimethyl-2-phenylmethoxyphenyl)hexan-3-ylphosphanyl]-3-methylphenyl]-N-phenylethanimine
CID 89356451
2-[3-[2-[(dimethylamino)methyl]-4-methylphenyl]phosphanylpentan-3-yl]phenol
CID 71039669
2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methyl-N,N-di(propan-2-yl)aniline
CID 89356666
[2-[3-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]hexan-3-ylphosphanyl]-3-methylphenyl]-diphenylphosphane
CID 89356670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol?
The IUPAC name of 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol (CID 71191488) is 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol is CCCC(CC)(Pc1c(C)cccc1CPC)c1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol?
The InChIKey is QOWWJNPJMGCTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32OP2/c1-6-13-22(7-2,19-14-16(3)11-12-20(19)23)25-21-17(4)9-8-10-18(21)15-24-5/h8-12,14,23-25H,6-7,13,15H2,1-5H3.
What are the key properties of 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol?
4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol has a molecular weight of 374.45 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[2-methyl-6-(methylphosphanylmethyl)phenyl]phosphanylhexan-3-yl]phenol is sourced from PubChem (CID 71191488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).