2,3,5-tributyl-6-phosphanylbenzene-1,4-diol

C18H31O2P — CID 87069120

IUPAC2,3,5-tributyl-6-phosphanylbenzene-1,4-diol
SMILESCCCCc1c(O)c(CCCC)c(CCCC)c(O)c1P
InChIInChI=1S/C18H31O2P/c1-4-7-10-13-14(11-8-5-2)17(20)18(21)15(16(13)19)12-9-6-3/h19-20H,4-12,21H2,1-3H3
InChIKeyBTVKMWFSKOVEPY-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.63
Rot. Bonds9

About 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol

2,3,5-tributyl-6-phosphanylbenzene-1,4-diol (PubChem CID 87069120) has the molecular formula C18H31O2P and a molecular weight of 310.42 g/mol. Its IUPAC name is 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-tributyl-6-phosphanylbenzene-1,4-diol
PubChem CID87069120
Molecular FormulaC18H31O2P
Molecular Weight310.42 g/mol
Exact Mass310.21
IUPAC Name2,3,5-tributyl-6-phosphanylbenzene-1,4-diol
SMILESCCCCc1c(O)c(CCCC)c(CCCC)c(O)c1P
InChIInChI=1S/C18H31O2P/c1-4-7-10-13-14(11-8-5-2)17(20)18(21)15(16(13)19)12-9-6-3/h19-20H,4-12,21H2,1-3H3
InChIKeyBTVKMWFSKOVEPY-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-ethyl-4,5,6-trimethylphenol
CID 139832207
2-butyl-5,6-diheptyl-4-methyl-3-propylphenol
CID 139832227
2-butyl-3-hydroxycycloprop-2-en-1-one
CID 59755512
2-butyl-4-ethyl-5,6-diheptyl-3-propylphenol
CID 139832101
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol
CID 151256015
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
2,3,4-tributyl-6-(3,4,5-tributyl-2-hydroxyphenoxy)phenol
CID 177309933
3,4-dibutyl-5,6-diheptoxybenzene-1,2-diol
CID 154435286

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol?
The IUPAC name of 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol (CID 87069120) is 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol.
What is the SMILES notation for 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol?
The canonical SMILES for 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol is CCCCc1c(O)c(CCCC)c(CCCC)c(O)c1P.
What is the InChIKey of 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol?
The InChIKey is BTVKMWFSKOVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O2P/c1-4-7-10-13-14(11-8-5-2)17(20)18(21)15(16(13)19)12-9-6-3/h19-20H,4-12,21H2,1-3H3.
What are the key properties of 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol?
2,3,5-tributyl-6-phosphanylbenzene-1,4-diol has a molecular weight of 310.42 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tributyl-6-phosphanylbenzene-1,4-diol is sourced from PubChem (CID 87069120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).