2-hydroxyimino-2-(3-pentadecylphenyl)ethanol

C23H39NO2 — CID 173221789

IUPAC2-hydroxyimino-2-(3-pentadecylphenyl)ethanol
SMILESCCCCCCCCCCCCCCCc1cccc(C(CO)=NO)c1
InChIInChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)23(20-25)24-26/h15,17-19,25-26H,2-14,16,20H2,1H3
InChIKeySRCIYZWBWLPLCK-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.49
Rot. Bonds16

About 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol

2-hydroxyimino-2-(3-pentadecylphenyl)ethanol (PubChem CID 173221789) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol.

Molecular Properties

Compound Name2-hydroxyimino-2-(3-pentadecylphenyl)ethanol
PubChem CID173221789
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name2-hydroxyimino-2-(3-pentadecylphenyl)ethanol
SMILESCCCCCCCCCCCCCCCc1cccc(C(CO)=NO)c1
InChIInChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)23(20-25)24-26/h15,17-19,25-26H,2-14,16,20H2,1H3
InChIKeySRCIYZWBWLPLCK-UHFFFAOYSA-N
XLogP6.49
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-heptylphenyl)-2-hydroxyiminoethanol
CID 173361947
1,3-di(tetradecyl)benzene
CID 91053224
2-(3-pentylphenyl)ethanol
CID 163236984
3-octylbenzoate
CID 140615261
N-hydroxy-N-methyl-3-tridecylbenzamide
CID 159220430
N-(hydroxymethyl)-3-tetradecylbenzamide
CID 57272721
sodium 3-pentylbenzoate
CID 169082106
N-[1-[3-(fluoromethyl)phenyl]pentylidene]hydroxylamine
CID 118460985
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
1-chloro-3-octylbenzene
CID 11458768
acetyl 3-octylbenzoate
CID 57291540

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol?
The IUPAC name of 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol (CID 173221789) is 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol.
What is the SMILES notation for 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol?
The canonical SMILES for 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol is CCCCCCCCCCCCCCCc1cccc(C(CO)=NO)c1.
What is the InChIKey of 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol?
The InChIKey is SRCIYZWBWLPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)23(20-25)24-26/h15,17-19,25-26H,2-14,16,20H2,1H3.
What are the key properties of 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol?
2-hydroxyimino-2-(3-pentadecylphenyl)ethanol has a molecular weight of 361.57 g/mol, XLogP of 6.49, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(3-pentadecylphenyl)ethanol is sourced from PubChem (CID 173221789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).