6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol

C14H13NO3 — CID 135620535

IUPAC6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol
SMILESCc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O
InChIInChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-8,16-18H,1H3/b15-8+
InChIKeyLOEOTKPIKIUVAL-OVCLIPMQSA-N
MW243.26 g/mol
LogP2.88
Rot. Bonds2

About 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol

6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol (PubChem CID 135620535) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol
PubChem CID135620535
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol
SMILESCc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O
InChIInChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-8,16-18H,1H3/b15-8+
InChIKeyLOEOTKPIKIUVAL-OVCLIPMQSA-N
XLogP2.88
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-Hydroxyphenyl)-1-naphthaldehyde oxime
CID 135440536
2~3~-[(E)-(Hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-Terphenyl]-1~4~,2~4~,3~4~-Triol
CID 135567289
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime
CID 135472366
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
5-Nonylsalicylaldoxime
CID 135478032
3-Fluoro-3'-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-4,4'-Diol
CID 135567291
2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
CID 135436560
4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
CID 135448372
5-(Tert-butyl)-2-hydroxybenzenecarbaldehyde oxime
CID 135476806
2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
CID 137287868
Benzaldehyde, 5-dodecyl-2-hydroxy-, oxime
CID 135441937
6-[(E)-hydroxyiminomethyl]-2,3-diphenylphenol
CID 135457991

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol (CID 135620535) is 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol is Cc1c(-c2ccc(O)cc2)ccc(/C=N/O)c1O.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol?
The InChIKey is LOEOTKPIKIUVAL-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-8,16-18H,1H3/b15-8+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol?
6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol has a molecular weight of 243.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]-3-(4-hydroxyphenyl)-2-methylphenol is sourced from PubChem (CID 135620535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).