[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol

C13H17NO — CID 143533221

IUPAC[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
SMILES[H]/N=C/c1cc(CO)ccc1/C=C\C(C)C
InChIInChI=1S/C13H17NO/c1-10(2)3-5-12-6-4-11(9-15)7-13(12)8-14/h3-8,10,14-15H,9H2,1-2H3/b5-3-,14-8+
InChIKeyYROPWUWIFWTUSO-SDVNCYQHSA-N
MW203.28 g/mol
LogP2.85
Rot. Bonds4

About [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol

[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol (PubChem CID 143533221) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
PubChem CID143533221
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol
SMILES[H]/N=C/c1cc(CO)ccc1/C=C\C(C)C
InChIInChI=1S/C13H17NO/c1-10(2)3-5-12-6-4-11(9-15)7-13(12)8-14/h3-8,10,14-15H,9H2,1-2H3/b5-3-,14-8+
InChIKeyYROPWUWIFWTUSO-SDVNCYQHSA-N
XLogP2.85
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol?
The IUPAC name of [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol (CID 143533221) is [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol.
What is the SMILES notation for [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol?
The canonical SMILES for [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol is [H]/N=C/c1cc(CO)ccc1/C=C\C(C)C.
What is the InChIKey of [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol?
The InChIKey is YROPWUWIFWTUSO-SDVNCYQHSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)3-5-12-6-4-11(9-15)7-13(12)8-14/h3-8,10,14-15H,9H2,1-2H3/b5-3-,14-8+.
What are the key properties of [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol?
[3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol has a molecular weight of 203.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methanimidoyl-4-[(Z)-3-methylbut-1-enyl]phenyl]methanol is sourced from PubChem (CID 143533221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).