2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol

C24H29NO6 — CID 173162017

IUPAC2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol
SMILESON=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C24H29NO6/c26-22-15-19(31-24-6-2-4-14-29-24)11-12-20(22)21(16-25-27)17-7-9-18(10-8-17)30-23-5-1-3-13-28-23/h7-12,15-16,21,23-24,26-27H,1-6,13-14H2
InChIKeyXAUIHDWMODRSTG-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.79
Rot. Bonds7

About 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol

2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol (PubChem CID 173162017) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol.

Molecular Properties

Compound Name2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol
PubChem CID173162017
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol
SMILESON=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C24H29NO6/c26-22-15-19(31-24-6-2-4-14-29-24)11-12-20(22)21(16-25-27)17-7-9-18(10-8-17)30-23-5-1-3-13-28-23/h7-12,15-16,21,23-24,26-27H,1-6,13-14H2
InChIKeyXAUIHDWMODRSTG-UHFFFAOYSA-N
XLogP4.79
TPSA89.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde
CID 87795806
4-(oxan-2-yloxy)phenol
CID 11745519
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-hydroxy-4-(oxan-2-yloxy)benzoic acid
CID 129079966
4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane
CID 90796647
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
CID 170406702
4-(oxan-2-yloxy)benzoic acid
CID 11183645
CID 168763543
CID 168763543
CID 143834486
CID 143834486
2-(3,4-dimethylphenoxy)oxane
CID 10987441

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol?
The IUPAC name of 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol (CID 173162017) is 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol.
What is the SMILES notation for 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol?
The canonical SMILES for 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol is ON=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O.
What is the InChIKey of 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol?
The InChIKey is XAUIHDWMODRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c26-22-15-19(31-24-6-2-4-14-29-24)11-12-20(22)21(16-25-27)17-7-9-18(10-8-17)30-23-5-1-3-13-28-23/h7-12,15-16,21,23-24,26-27H,1-6,13-14H2.
What are the key properties of 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol?
2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol has a molecular weight of 427.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyimino-1-[4-(oxan-2-yloxy)phenyl]ethyl]-5-(oxan-2-yloxy)phenol is sourced from PubChem (CID 173162017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).