2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol

C38H53O4P — CID 87770730

IUPAC2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol
SMILESCCCc1cc(CCC)c2op(OCCCc3cc(C)c(O)c(C(C)(C)C)c3)oc3c(CCC)cc(CCC)cc3c2c1
InChIInChI=1S/C38H53O4P/c1-9-14-27-21-30(16-11-3)36-32(23-27)33-24-28(15-10-2)22-31(17-12-4)37(33)42-43(41-36)40-19-13-18-29-20-26(5)35(39)34(25-29)38(6,7)8/h20-25,39H,9-19H2,1-8H3
InChIKeyZDYZFRLBXKOQGZ-UHFFFAOYSA-N
MW604.81 g/mol
LogP11.47
Rot. Bonds13

About 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol

2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol (PubChem CID 87770730) has the molecular formula C38H53O4P and a molecular weight of 604.81 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol
PubChem CID87770730
Molecular FormulaC38H53O4P
Molecular Weight604.81 g/mol
Exact Mass604.37
IUPAC Name2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol
SMILESCCCc1cc(CCC)c2op(OCCCc3cc(C)c(O)c(C(C)(C)C)c3)oc3c(CCC)cc(CCC)cc3c2c1
InChIInChI=1S/C38H53O4P/c1-9-14-27-21-30(16-11-3)36-32(23-27)33-24-28(15-10-2)22-31(17-12-4)37(33)42-43(41-36)40-19-13-18-29-20-26(5)35(39)34(25-29)38(6,7)8/h20-25,39H,9-19H2,1-8H3
InChIKeyZDYZFRLBXKOQGZ-UHFFFAOYSA-N
XLogP11.47
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.81
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol;tris(2,4-ditert-butylphenyl) phosphite
CID 157098725
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 11136318
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
4-[3-[3,5-bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-2,4,6-trimethylphenyl]propyl]-2-tert-butyl-6-methylphenol
CID 139646403
2-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methylsulfanylmethyl]-6-methylphenol
CID 87160979
2-tert-butyl-6-methyl-4-(3-octadecylsulfanylpropyl)phenol
CID 21437807
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
4-butyl-2,6-ditert-butylphenol
CID 158079570
2-tert-butyl-4-(hexadecoxymethyl)-6-methylphenol
CID 87421552
tetradecyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 118862021
2-[2-[7-(3-tert-butyl-4-hydroxy-5-methylphenyl)heptanoyloxy]ethoxy]ethyl octadecanoate
CID 22766610
2-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethyl 3-(3-tert-butyl-4-methoxy-5-methylphenyl)propanoate
CID 139758292

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol?
The IUPAC name of 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol (CID 87770730) is 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol?
The canonical SMILES for 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol is CCCc1cc(CCC)c2op(OCCCc3cc(C)c(O)c(C(C)(C)C)c3)oc3c(CCC)cc(CCC)cc3c2c1.
What is the InChIKey of 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol?
The InChIKey is ZDYZFRLBXKOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53O4P/c1-9-14-27-21-30(16-11-3)36-32(23-27)33-24-28(15-10-2)22-31(17-12-4)37(33)42-43(41-36)40-19-13-18-29-20-26(5)35(39)34(25-29)38(6,7)8/h20-25,39H,9-19H2,1-8H3.
What are the key properties of 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol?
2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol has a molecular weight of 604.81 g/mol, XLogP of 11.47, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetrapropylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol is sourced from PubChem (CID 87770730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).