sodium;3-butyl-2-phenylphenol;hydride

C16H19NaO — CID 173461080

IUPACsodium;3-butyl-2-phenylphenol;hydride
SMILESCCCCc1cccc(O)c1-c1ccccc1.[H-].[Na+]
InChIInChI=1S/C16H18O.Na.H/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;;/h4-7,9-12,17H,2-3,8H2,1H3;;/q;+1;-1
InChIKeyBQLPGFJSKMADFD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds4

About sodium;3-butyl-2-phenylphenol;hydride

sodium;3-butyl-2-phenylphenol;hydride (PubChem CID 173461080) has the molecular formula C16H19NaO and a molecular weight of 250.32 g/mol. Its IUPAC name is sodium;3-butyl-2-phenylphenol;hydride.

Molecular Properties

Compound Namesodium;3-butyl-2-phenylphenol;hydride
PubChem CID173461080
Molecular FormulaC16H19NaO
Molecular Weight250.32 g/mol
Exact Mass250.13
IUPAC Namesodium;3-butyl-2-phenylphenol;hydride
SMILESCCCCc1cccc(O)c1-c1ccccc1.[H-].[Na+]
InChIInChI=1S/C16H18O.Na.H/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;;/h4-7,9-12,17H,2-3,8H2,1H3;;/q;+1;-1
InChIKeyBQLPGFJSKMADFD-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 66654402
CID 66654402
1,3-dibutyl-2-phenylbenzene
CID 15421912
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-butyl-2-phenyl-3-(2-phenylethynyl)benzene;2-methylprop-2-enoic acid
CID 70021297
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
disodium;hydride;2-nonylphenol
CID 175531956
(3-butyl-2-phenylphenyl) hydrogen sulfate
CID 66641312
3-(3-hydroxypropyl)-2-(2-phenylphenyl)phenol
CID 174428915
[2-(2,6-dibutylphenyl)-3-phenylphenyl]phosphonous acid
CID 150627398
3-docosyl-2-phenylbenzenesulfonic acid
CID 175338328

Frequently Asked Questions

What is the IUPAC name of sodium;3-butyl-2-phenylphenol;hydride?
The IUPAC name of sodium;3-butyl-2-phenylphenol;hydride (CID 173461080) is sodium;3-butyl-2-phenylphenol;hydride.
What is the SMILES notation for sodium;3-butyl-2-phenylphenol;hydride?
The canonical SMILES for sodium;3-butyl-2-phenylphenol;hydride is CCCCc1cccc(O)c1-c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;3-butyl-2-phenylphenol;hydride?
The InChIKey is BQLPGFJSKMADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.Na.H/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14;;/h4-7,9-12,17H,2-3,8H2,1H3;;/q;+1;-1.
What are the key properties of sodium;3-butyl-2-phenylphenol;hydride?
sodium;3-butyl-2-phenylphenol;hydride has a molecular weight of 250.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-butyl-2-phenylphenol;hydride is sourced from PubChem (CID 173461080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).