sodium;hydride;1-phenylpropan-2-ol

C9H13NaO — CID 175039142

IUPACsodium;hydride;1-phenylpropan-2-ol
SMILESCC(O)Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H12O.Na.H/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8,10H,7H2,1H3;;/q;+1;-1
InChIKeyYJBSRTWNOWNVPP-UHFFFAOYSA-N
MW160.19 g/mol
LogP-1.27
Rot. Bonds2

About sodium;hydride;1-phenylpropan-2-ol

sodium;hydride;1-phenylpropan-2-ol (PubChem CID 175039142) has the molecular formula C9H13NaO and a molecular weight of 160.19 g/mol. Its IUPAC name is sodium;hydride;1-phenylpropan-2-ol.

Molecular Properties

Compound Namesodium;hydride;1-phenylpropan-2-ol
PubChem CID175039142
Molecular FormulaC9H13NaO
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namesodium;hydride;1-phenylpropan-2-ol
SMILESCC(O)Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H12O.Na.H/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8,10H,7H2,1H3;;/q;+1;-1
InChIKeyYJBSRTWNOWNVPP-UHFFFAOYSA-N
XLogP-1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162336088
(2R)-1-(4-phenylphenyl)propan-2-ol
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(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
CID 18000285
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
azane;1-phenylpropan-2-amine
CID 67350534
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
ethane;2-methylpropylbenzene
CID 162200929

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-phenylpropan-2-ol?
The IUPAC name of sodium;hydride;1-phenylpropan-2-ol (CID 175039142) is sodium;hydride;1-phenylpropan-2-ol.
What is the SMILES notation for sodium;hydride;1-phenylpropan-2-ol?
The canonical SMILES for sodium;hydride;1-phenylpropan-2-ol is CC(O)Cc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-phenylpropan-2-ol?
The InChIKey is YJBSRTWNOWNVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.Na.H/c1-8(10)7-9-5-3-2-4-6-9;;/h2-6,8,10H,7H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;1-phenylpropan-2-ol?
sodium;hydride;1-phenylpropan-2-ol has a molecular weight of 160.19 g/mol, XLogP of -1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-phenylpropan-2-ol is sourced from PubChem (CID 175039142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).