(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol

C13H13NO — CID 170270040

IUPAC(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
SMILES[H]/N=C/C(=C)/C=C(\C(=C)O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-10(9-14)8-13(11(2)15)12-6-4-3-5-7-12/h3-9,14-15H,1-2H2/b13-8+,14-9+
InChIKeyFRLABBMPOWPQLP-UQNWOCKMSA-N
MW199.25 g/mol
LogP3.35
Rot. Bonds4

About (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol

(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol (PubChem CID 170270040) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
PubChem CID170270040
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol
SMILES[H]/N=C/C(=C)/C=C(\C(=C)O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-10(9-14)8-13(11(2)15)12-6-4-3-5-7-12/h3-9,14-15H,1-2H2/b13-8+,14-9+
InChIKeyFRLABBMPOWPQLP-UQNWOCKMSA-N
XLogP3.35
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-triene-2-thiol
CID 170269602
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563
(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
(Z)-2,4-diphenylbut-2-en-1-imine
CID 144876754
1-(4-benzoylphenyl)-2-iminoethanone
CID 57228817
N'-methanimidoyl-N-methylidenebenzenecarboximidamide
CID 145447927
ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
CID 143625554
(2Z,4Z)-5-iodo-2-phenylpenta-2,4-dien-1-imine
CID 118507154
(3Z)-5-methyl-4-phenylhexa-3,5-dien-2-one
CID 145260514
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
(2Z)-4-bromo-3-methyl-1-phenylpenta-2,4-dien-1-imine
CID 131981966

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol (CID 170270040) is (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol is [H]/N=C/C(=C)/C=C(\C(=C)O)c1ccccc1.
What is the InChIKey of (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol?
The InChIKey is FRLABBMPOWPQLP-UQNWOCKMSA-N. The full InChI is InChI=1S/C13H13NO/c1-10(9-14)8-13(11(2)15)12-6-4-3-5-7-12/h3-9,14-15H,1-2H2/b13-8+,14-9+.
What are the key properties of (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol?
(3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol has a molecular weight of 199.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methanimidoyl-3-phenylhexa-1,3,5-trien-2-ol is sourced from PubChem (CID 170270040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).