1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol

C14H21NO4 — CID 115495613

IUPAC1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO4/c1-3-18-9-13(16)10-19-14-6-4-12(5-7-14)8-11(2)15-17/h4-7,13,16-17H,3,8-10H2,1-2H3/b15-11+
InChIKeyLFVKNISATVZXIL-RVDMUPIBSA-N
MW267.32 g/mol
LogP1.86
Rot. Bonds8

About 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol

1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol (PubChem CID 115495613) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
PubChem CID115495613
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO4/c1-3-18-9-13(16)10-19-14-6-4-12(5-7-14)8-11(2)15-17/h4-7,13,16-17H,3,8-10H2,1-2H3/b15-11+
InChIKeyLFVKNISATVZXIL-RVDMUPIBSA-N
XLogP1.86
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
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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Related Compounds

4-Nonylphenol diethoxylate
CID 24773
2-(p-Nonylphenoxy)ethanol
CID 7700
Octaethylene glycol mono(p-nonylphenyl) ether
CID 72384
20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol
CID 119758
Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
CID 81745
1-Amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
CID 10105079
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049
3-(4-Nonylphenoxy)-1,2-propanediol
CID 101160
Nonoxynol-3
CID 182668
3-(4-(2-Methoxyethyl)phenoxy)propane-1,2-diol
CID 13186849
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
Pentaethylene glycol mono(p-nonylphenyl) ether
CID 542446

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol (CID 115495613) is 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol is CCOCC(O)COc1ccc(C/C(C)=N/O)cc1.
What is the InChIKey of 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol?
The InChIKey is LFVKNISATVZXIL-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-18-9-13(16)10-19-14-6-4-12(5-7-14)8-11(2)15-17/h4-7,13,16-17H,3,8-10H2,1-2H3/b15-11+.
What are the key properties of 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol?
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol has a molecular weight of 267.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol is sourced from PubChem (CID 115495613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).