iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc

C11H14IOZn- — CID 135060356

IUPACiodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
SMILESC/C(=C/CO)c1ccccc1.[CH2-]I.[Zn]
InChIInChI=1S/C10H12O.CH2I.Zn/c1-9(7-8-11)10-5-3-2-4-6-10;1-2;/h2-7,11H,8H2,1H3;1H2;/q;-1;/b9-7-;;
InChIKeyNKVYEDBQPNYBBR-COUYFGMESA-N
MW354.53 g/mol
LogP3.29
Rot. Bonds2

About iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc

iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc (PubChem CID 135060356) has the molecular formula C11H14IOZn- and a molecular weight of 354.53 g/mol. Its IUPAC name is iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc.

Molecular Properties

Compound Nameiodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
PubChem CID135060356
Molecular FormulaC11H14IOZn-
Molecular Weight354.53 g/mol
Exact Mass352.94
IUPAC Nameiodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc
SMILESC/C(=C/CO)c1ccccc1.[CH2-]I.[Zn]
InChIInChI=1S/C10H12O.CH2I.Zn/c1-9(7-8-11)10-5-3-2-4-6-10;1-2;/h2-7,11H,8H2,1H3;1H2;/q;-1;/b9-7-;;
InChIKeyNKVYEDBQPNYBBR-COUYFGMESA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 53.29
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-iodophenyl)but-2-en-1-ol
CID 22557590
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
3-(3-bromophenyl)but-2-en-1-ol
CID 67536690
1-bromoprop-1-en-2-ylbenzene
CID 5152757
1-iodoprop-1-en-2-ylbenzene
CID 54065087
[(E)-4-phenylpent-3-enyl] hydrogen carbonate
CID 70193695
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
2-[[(E)-3-phenylbut-2-enyl]hydrazinylidene]propanoic acid
CID 173394968

Frequently Asked Questions

What is the IUPAC name of iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc?
The IUPAC name of iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc (CID 135060356) is iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc.
What is the SMILES notation for iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc?
The canonical SMILES for iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc is C/C(=C/CO)c1ccccc1.[CH2-]I.[Zn].
What is the InChIKey of iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc?
The InChIKey is NKVYEDBQPNYBBR-COUYFGMESA-N. The full InChI is InChI=1S/C10H12O.CH2I.Zn/c1-9(7-8-11)10-5-3-2-4-6-10;1-2;/h2-7,11H,8H2,1H3;1H2;/q;-1;/b9-7-;;.
What are the key properties of iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc?
iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc has a molecular weight of 354.53 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;(Z)-3-phenylbut-2-en-1-ol;zinc is sourced from PubChem (CID 135060356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).