3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol

C24H35O3P — CID 155575581

IUPAC3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol
SMILESCCCCCCC(C)(C)c1cc(O)c(-c2cccc(C)c2)c(OP(C)OC)c1
InChIInChI=1S/C24H35O3P/c1-7-8-9-10-14-24(3,4)20-16-21(25)23(19-13-11-12-18(2)15-19)22(17-20)27-28(6)26-5/h11-13,15-17,25H,7-10,14H2,1-6H3
InChIKeyVUANNEODZFXRBR-UHFFFAOYSA-N
MW402.52 g/mol
LogP7.58
Rot. Bonds10

About 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol

3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol (PubChem CID 155575581) has the molecular formula C24H35O3P and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol.

Molecular Properties

Compound Name3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol
PubChem CID155575581
Molecular FormulaC24H35O3P
Molecular Weight402.52 g/mol
Exact Mass402.23
IUPAC Name3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol
SMILESCCCCCCC(C)(C)c1cc(O)c(-c2cccc(C)c2)c(OP(C)OC)c1
InChIInChI=1S/C24H35O3P/c1-7-8-9-10-14-24(3,4)20-16-21(25)23(19-13-11-12-18(2)15-19)22(17-20)27-28(6)26-5/h11-13,15-17,25H,7-10,14H2,1-6H3
InChIKeyVUANNEODZFXRBR-UHFFFAOYSA-N
XLogP7.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[3-hydroxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenoxy]methyl]-N-phenylcarbamate
CID 155461308
1,3-bis(ethoxymethoxy)-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)benzene
CID 155461306
3-[methoxy(methyl)phosphoryl]oxy-5-(2-methyloctan-2-yl)-2-(5-methyl-2-prop-1-en-2-ylphenyl)phenol
CID 155575872
3-(2-methoxypropan-2-yloxy)-2-(3-methylphenyl)-5-pentylphenol
CID 155461207
2,6-dimethoxy-4-(2-methyloctan-2-yl)phenol;2,6-dimethoxyphenol;methane;methanesulfonic acid;2-methyloctan-2-ol
CID 159353150
methyl-[2-(3-methylphenyl)-3-[methyl(propoxy)phosphanyl]oxy-5-pentylphenoxy]-propoxyphosphane
CID 155575868
1,3-dimethoxy-2-methyl-5-(2-methyloctan-2-yl)benzene;2,6-dimethoxy-4-(2-methyloctan-2-yl)phenol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 158539541
2-[2-(3-methylphenyl)-5-pentyl-3-(2-phosphonooxypropan-2-yloxy)phenoxy]propan-2-yl dihydrogen phosphate
CID 155575881
4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one
CID 54749317
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
(3-methylphenyl)methyl 2-hydroxy-5-(2-methylheptan-2-yl)benzoate
CID 91506796

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol?
The IUPAC name of 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol (CID 155575581) is 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol.
What is the SMILES notation for 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol?
The canonical SMILES for 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol is CCCCCCC(C)(C)c1cc(O)c(-c2cccc(C)c2)c(OP(C)OC)c1.
What is the InChIKey of 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol?
The InChIKey is VUANNEODZFXRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35O3P/c1-7-8-9-10-14-24(3,4)20-16-21(25)23(19-13-11-12-18(2)15-19)22(17-20)27-28(6)26-5/h11-13,15-17,25H,7-10,14H2,1-6H3.
What are the key properties of 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol?
3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol has a molecular weight of 402.52 g/mol, XLogP of 7.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)phosphanyl]oxy-5-(2-methyloctan-2-yl)-2-(3-methylphenyl)phenol is sourced from PubChem (CID 155575581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).