(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol

C14H17NO — CID 145260531

IUPAC(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol
SMILESC=NC(C)(O)/C(=C\C(=C)C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)10-13(14(3,16)15-4)12-8-6-5-7-9-12/h5-10,16H,1,4H2,2-3H3/b13-10-
InChIKeyCBCDFYHILJHZRM-RAXLEYEMSA-N
MW215.30 g/mol
LogP3.06
Rot. Bonds4

About (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol

(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol (PubChem CID 145260531) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol
PubChem CID145260531
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol
SMILESC=NC(C)(O)/C(=C\C(=C)C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)10-13(14(3,16)15-4)12-8-6-5-7-9-12/h5-10,16H,1,4H2,2-3H3/b13-10-
InChIKeyCBCDFYHILJHZRM-RAXLEYEMSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89097997
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CID 176333758
(alpha-Hydroxy-alpha-methylphenethyl)trimethylammonium chloride
CID 3026676
(1S)-1-(dimethylamino)-1-phenylpropan-1-ol
CID 18645437
1-(Dimethylamino)-1-phenylpropan-1-ol
CID 19832402
1-(Heptyldiazenyl)-1-phenylethanol
CID 20356848
2-(2-Methylbutyldiazenyl)-1-phenylpropan-2-ol
CID 20356864
(1-Hydroxy-1-phenyltridecyl)-trimethylazanium
CID 21387889
1-[Methyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 21611788
2-(Dimethylamino)-1-phenylpropan-2-ol
CID 21909217
1-(Dimethylamino)-1-phenylethanol
CID 22755372
(1R)-1-(dimethylamino)-1-phenylpropan-1-ol
CID 54145597

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol?
The IUPAC name of (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol (CID 145260531) is (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol?
The canonical SMILES for (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol is C=NC(C)(O)/C(=C\C(=C)C)c1ccccc1.
What is the InChIKey of (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol?
The InChIKey is CBCDFYHILJHZRM-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)10-13(14(3,16)15-4)12-8-6-5-7-9-12/h5-10,16H,1,4H2,2-3H3/b13-10-.
What are the key properties of (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol?
(3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-(methylideneamino)-3-phenylhexa-3,5-dien-2-ol is sourced from PubChem (CID 145260531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).