(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol

C16H21NO2 — CID 143382136

IUPAC(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol
SMILESC/C=C(/O)CCC/C=N/C(=C\CO)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-15(19)10-6-7-12-17-16(11-13-18)14-8-4-3-5-9-14/h2-5,8-9,11-12,18-19H,6-7,10,13H2,1H3/b15-2+,16-11-,17-12+
InChIKeyPQLGSMDWHFJEFN-IJQMLYTOSA-N
MW259.35 g/mol
LogP3.72
Rot. Bonds7

About (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol

(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol (PubChem CID 143382136) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol.

Molecular Properties

Compound Name(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol
PubChem CID143382136
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol
SMILESC/C=C(/O)CCC/C=N/C(=C\CO)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-15(19)10-6-7-12-17-16(11-13-18)14-8-4-3-5-9-14/h2-5,8-9,11-12,18-19H,6-7,10,13H2,1H3/b15-2+,16-11-,17-12+
InChIKeyPQLGSMDWHFJEFN-IJQMLYTOSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-fluorophenyl)-3-methyl-4-propan-2-yl-4H-pyridin-3-yl]methanol
CID 141008264
5-Benzyliminopentan-1-ol
CID 130129561
(2R,3Z,5Z)-3-[C-[2-amino-2-(2-fluorophenyl)ethenyl]-N-methylcarbonimidoyl]hepta-3,5-dien-2-ol
CID 144562630
Phenyl-(propylideneamino)methanol
CID 57287082
(2R)-1-benzyliminopentan-2-ol
CID 89683399
(2E)-4-(2,6-diethylcyclohexa-1,5-dien-1-yl)-2-[(methylideneamino)-phenylmethylidene]butan-1-ol
CID 142989512
ethane;(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol;prop-1-yne
CID 143382135
2-Amino-4-benzylimino-3-methylbut-2-en-1-ol
CID 173899188
(E,7R)-N-benzyl-7-hydroxyoct-5-en-1-imine oxide
CID 11064738
4-Benzyliminobutan-1-ol
CID 130129562
[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol
CID 144710114
N-benzyl-5-hydroxypentan-1-imine oxide
CID 177418537

Frequently Asked Questions

What is the IUPAC name of (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol?
The IUPAC name of (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol (CID 143382136) is (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol.
What is the SMILES notation for (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol?
The canonical SMILES for (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol is C/C=C(/O)CCC/C=N/C(=C\CO)c1ccccc1.
What is the InChIKey of (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol?
The InChIKey is PQLGSMDWHFJEFN-IJQMLYTOSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-15(19)10-6-7-12-17-16(11-13-18)14-8-4-3-5-9-14/h2-5,8-9,11-12,18-19H,6-7,10,13H2,1H3/b15-2+,16-11-,17-12+.
What are the key properties of (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol?
(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol has a molecular weight of 259.35 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol is sourced from PubChem (CID 143382136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).