(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol

C14H15NO — CID 145317832

IUPAC(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)/N=C/c1ccc(C)cc1
InChIInChI=1S/C14H15NO/c1-11-4-8-14(9-5-11)10-15-12(2)6-7-13(3)16/h4-10,16H,2-3H2,1H3/b7-6-,15-10+
InChIKeyIDMLFCXKBXYZSL-GZJRMXIGSA-N
MW213.28 g/mol
LogP3.56
Rot. Bonds4

About (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol

(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol (PubChem CID 145317832) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol
PubChem CID145317832
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C)/N=C/c1ccc(C)cc1
InChIInChI=1S/C14H15NO/c1-11-4-8-14(9-5-11)10-15-12(2)6-7-13(3)16/h4-10,16H,2-3H2,1H3/b7-6-,15-10+
InChIKeyIDMLFCXKBXYZSL-GZJRMXIGSA-N
XLogP3.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol?
The IUPAC name of (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol (CID 145317832) is (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol?
The canonical SMILES for (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C)/N=C/c1ccc(C)cc1.
What is the InChIKey of (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol?
The InChIKey is IDMLFCXKBXYZSL-GZJRMXIGSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-4-8-14(9-5-11)10-15-12(2)6-7-13(3)16/h4-10,16H,2-3H2,1H3/b7-6-,15-10+.
What are the key properties of (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol?
(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol has a molecular weight of 213.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol is sourced from PubChem (CID 145317832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).