(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol

C11H14N2O3 — CID 54608137

IUPAC(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol
SMILESC/C(CC(O)(/C=N/O)c1ccccc1)=N/O
InChIInChI=1S/C11H14N2O3/c1-9(13-16)7-11(14,8-12-15)10-5-3-2-4-6-10/h2-6,8,14-16H,7H2,1H3/b12-8+,13-9-
InChIKeyYPDDLKPWPQSEFM-UQXQTEIVSA-N
MW222.24 g/mol
LogP1.57
Rot. Bonds4

About (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol

(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol (PubChem CID 54608137) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol.

Molecular Properties

Compound Name(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol
PubChem CID54608137
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol
SMILESC/C(CC(O)(/C=N/O)c1ccccc1)=N/O
InChIInChI=1S/C11H14N2O3/c1-9(13-16)7-11(14,8-12-15)10-5-3-2-4-6-10/h2-6,8,14-16H,7H2,1H3/b12-8+,13-9-
InChIKeyYPDDLKPWPQSEFM-UQXQTEIVSA-N
XLogP1.57
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol?
The IUPAC name of (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol (CID 54608137) is (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol.
What is the SMILES notation for (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol?
The canonical SMILES for (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol is C/C(CC(O)(/C=N/O)c1ccccc1)=N/O.
What is the InChIKey of (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol?
The InChIKey is YPDDLKPWPQSEFM-UQXQTEIVSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-9(13-16)7-11(14,8-12-15)10-5-3-2-4-6-10/h2-6,8,14-16H,7H2,1H3/b12-8+,13-9-.
What are the key properties of (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol?
(1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol has a molecular weight of 222.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-1,4-bis(hydroxyimino)-2-phenylpentan-2-ol is sourced from PubChem (CID 54608137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).