calcium;hydride;2-(hydroxymethyl)phenol

C7H10CaO2 — CID 173090882

IUPACcalcium;hydride;2-(hydroxymethyl)phenol
SMILESOCc1ccccc1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H8O2.Ca.2H/c8-5-6-3-1-2-4-7(6)9;;;/h1-4,8-9H,5H2;;;/q;+2;2*-1
InChIKeyNGCXPQMAANVPTM-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.73
Rot. Bonds1

About calcium;hydride;2-(hydroxymethyl)phenol

calcium;hydride;2-(hydroxymethyl)phenol (PubChem CID 173090882) has the molecular formula C7H10CaO2 and a molecular weight of 166.23 g/mol. Its IUPAC name is calcium;hydride;2-(hydroxymethyl)phenol.

Molecular Properties

Compound Namecalcium;hydride;2-(hydroxymethyl)phenol
PubChem CID173090882
Molecular FormulaC7H10CaO2
Molecular Weight166.23 g/mol
Exact Mass166.03
IUPAC Namecalcium;hydride;2-(hydroxymethyl)phenol
SMILESOCc1ccccc1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H8O2.Ca.2H/c8-5-6-3-1-2-4-7(6)9;;;/h1-4,8-9H,5H2;;;/q;+2;2*-1
InChIKeyNGCXPQMAANVPTM-UHFFFAOYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
cyclohexane;2-(hydroxymethyl)phenol
CID 174697635
2-(hydroxymethyl)phenol;pentane
CID 70619203
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
CID 11620727
CID 11620727
2-[[2-(hydroxymethyl)anilino]methyl]phenol
CID 43743175
CID 175749710
CID 175749710
2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
CID 118271940
3,3-diphenylprop-2-enoic acid;2-(hydroxymethyl)phenol
CID 68756440
2-[3-[2-(hydroxymethyl)phenyl]prop-2-ynyl]phenol
CID 102498550

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;2-(hydroxymethyl)phenol?
The IUPAC name of calcium;hydride;2-(hydroxymethyl)phenol (CID 173090882) is calcium;hydride;2-(hydroxymethyl)phenol.
What is the SMILES notation for calcium;hydride;2-(hydroxymethyl)phenol?
The canonical SMILES for calcium;hydride;2-(hydroxymethyl)phenol is OCc1ccccc1O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;2-(hydroxymethyl)phenol?
The InChIKey is NGCXPQMAANVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.Ca.2H/c8-5-6-3-1-2-4-7(6)9;;;/h1-4,8-9H,5H2;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;2-(hydroxymethyl)phenol?
calcium;hydride;2-(hydroxymethyl)phenol has a molecular weight of 166.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;2-(hydroxymethyl)phenol is sourced from PubChem (CID 173090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).