carbanide;(1R)-1-phenylethanol;zinc

C9H13OZn- — CID 177390370

IUPACcarbanide;(1R)-1-phenylethanol;zinc
SMILESC[C@@H](O)c1ccccc1.[CH3-].[Zn]
InChIInChI=1S/C8H10O.CH3.Zn/c1-7(9)8-5-3-2-4-6-8;;/h2-7,9H,1H3;1H3;/q;-1;/t7-;;/m1../s1
InChIKeyXVJWVBZKTHUDIW-XCUBXKJBSA-N
MW202.59 g/mol
LogP2.19
Rot. Bonds1

About carbanide;(1R)-1-phenylethanol;zinc

carbanide;(1R)-1-phenylethanol;zinc (PubChem CID 177390370) has the molecular formula C9H13OZn- and a molecular weight of 202.59 g/mol. Its IUPAC name is carbanide;(1R)-1-phenylethanol;zinc.

Molecular Properties

Compound Namecarbanide;(1R)-1-phenylethanol;zinc
PubChem CID177390370
Molecular FormulaC9H13OZn-
Molecular Weight202.59 g/mol
Exact Mass201.03
IUPAC Namecarbanide;(1R)-1-phenylethanol;zinc
SMILESC[C@@H](O)c1ccccc1.[CH3-].[Zn]
InChIInChI=1S/C8H10O.CH3.Zn/c1-7(9)8-5-3-2-4-6-8;;/h2-7,9H,1H3;1H3;/q;-1;/t7-;;/m1../s1
InChIKeyXVJWVBZKTHUDIW-XCUBXKJBSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-phenylethanol
CID 157125626
azane;(1R)-1-phenylethanol
CID 126646564
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
nitric acid;1-phenylethanol
CID 67855225
2,2,2-trideuterio-1-phenylethanol
CID 15618819
carbanide;tris(phenylmethanediol);zinc;dihydrate
CID 20663003
1-[3-(2-phenylphenyl)phenyl]ethanol
CID 70377718
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526

Frequently Asked Questions

What is the IUPAC name of carbanide;(1R)-1-phenylethanol;zinc?
The IUPAC name of carbanide;(1R)-1-phenylethanol;zinc (CID 177390370) is carbanide;(1R)-1-phenylethanol;zinc.
What is the SMILES notation for carbanide;(1R)-1-phenylethanol;zinc?
The canonical SMILES for carbanide;(1R)-1-phenylethanol;zinc is C[C@@H](O)c1ccccc1.[CH3-].[Zn].
What is the InChIKey of carbanide;(1R)-1-phenylethanol;zinc?
The InChIKey is XVJWVBZKTHUDIW-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H10O.CH3.Zn/c1-7(9)8-5-3-2-4-6-8;;/h2-7,9H,1H3;1H3;/q;-1;/t7-;;/m1../s1.
What are the key properties of carbanide;(1R)-1-phenylethanol;zinc?
carbanide;(1R)-1-phenylethanol;zinc has a molecular weight of 202.59 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(1R)-1-phenylethanol;zinc is sourced from PubChem (CID 177390370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).