butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane

C19H35O3P — CID 68740938

IUPACbutyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane
SMILESCCCCc1c(C)ccc(P(O)(O)(O)CCCC)c1C(C)(C)C
InChIInChI=1S/C19H35O3P/c1-7-9-11-16-15(3)12-13-17(18(16)19(4,5)6)23(20,21,22)14-10-8-2/h12-13,20-22H,7-11,14H2,1-6H3
InChIKeyIIKKOLGJNAHAFH-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.34
Rot. Bonds7

About butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane

butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane (PubChem CID 68740938) has the molecular formula C19H35O3P and a molecular weight of 342.46 g/mol. Its IUPAC name is butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Namebutyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane
PubChem CID68740938
Molecular FormulaC19H35O3P
Molecular Weight342.46 g/mol
Exact Mass342.23
IUPAC Namebutyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane
SMILESCCCCc1c(C)ccc(P(O)(O)(O)CCCC)c1C(C)(C)C
InChIInChI=1S/C19H35O3P/c1-7-9-11-16-15(3)12-13-17(18(16)19(4,5)6)23(20,21,22)14-10-8-2/h12-13,20-22H,7-11,14H2,1-6H3
InChIKeyIIKKOLGJNAHAFH-UHFFFAOYSA-N
XLogP4.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.34
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

6-butyl-2-tert-butyl-3-methylphenol
CID 154177519
3-tert-butyl-1-methyl-4-octoxy-2-octylbenzene;phosphorous acid
CID 66925919
2-butyl-3-methylphenol
CID 174788119
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
[2-[2,3-di(nonyl)phenyl]phenyl]-trihydroxy-nonyl-λ5-phosphane
CID 70486124
[4-[4,4-bis[5-tert-butyl-2-methyl-4-[trihydroxy(tricosyl)-λ5-phosphanyl]phenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl]-trihydroxy-tricosyl-λ5-phosphane
CID 174694873
2-hexyl-3-methylphenol
CID 28322
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2,3-ditert-butyl-4-methylphenol;pentyl dihydrogen phosphite
CID 174889664
2-butyl-1-ethylsulfanyl-3-methylbenzene
CID 100940163
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498

Frequently Asked Questions

What is the IUPAC name of butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane?
The IUPAC name of butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane (CID 68740938) is butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane.
What is the SMILES notation for butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane?
The canonical SMILES for butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane is CCCCc1c(C)ccc(P(O)(O)(O)CCCC)c1C(C)(C)C.
What is the InChIKey of butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane?
The InChIKey is IIKKOLGJNAHAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35O3P/c1-7-9-11-16-15(3)12-13-17(18(16)19(4,5)6)23(20,21,22)14-10-8-2/h12-13,20-22H,7-11,14H2,1-6H3.
What are the key properties of butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane?
butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane has a molecular weight of 342.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(3-butyl-2-tert-butyl-4-methylphenyl)-trihydroxy-λ5-phosphane is sourced from PubChem (CID 68740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).