2-(3-heptylphenyl)-2-hydroxyiminoethanol

C15H23NO2 — CID 173361947

IUPAC2-(3-heptylphenyl)-2-hydroxyiminoethanol
SMILESCCCCCCCc1cccc(C(CO)=NO)c1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-8-13-9-7-10-14(11-13)15(12-17)16-18/h7,9-11,17-18H,2-6,8,12H2,1H3
InChIKeySRRUMEDYTBMXBK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.37
Rot. Bonds8

About 2-(3-heptylphenyl)-2-hydroxyiminoethanol

2-(3-heptylphenyl)-2-hydroxyiminoethanol (PubChem CID 173361947) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-heptylphenyl)-2-hydroxyiminoethanol.

Molecular Properties

Compound Name2-(3-heptylphenyl)-2-hydroxyiminoethanol
PubChem CID173361947
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-heptylphenyl)-2-hydroxyiminoethanol
SMILESCCCCCCCc1cccc(C(CO)=NO)c1
InChIInChI=1S/C15H23NO2/c1-2-3-4-5-6-8-13-9-7-10-14(11-13)15(12-17)16-18/h7,9-11,17-18H,2-6,8,12H2,1H3
InChIKeySRRUMEDYTBMXBK-UHFFFAOYSA-N
XLogP3.37
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.37
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-hydroxyimino-2-(3-pentadecylphenyl)ethanol
CID 173221789
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-(3-heptylphenyl)-2-hydroxyiminoethanol?
The IUPAC name of 2-(3-heptylphenyl)-2-hydroxyiminoethanol (CID 173361947) is 2-(3-heptylphenyl)-2-hydroxyiminoethanol.
What is the SMILES notation for 2-(3-heptylphenyl)-2-hydroxyiminoethanol?
The canonical SMILES for 2-(3-heptylphenyl)-2-hydroxyiminoethanol is CCCCCCCc1cccc(C(CO)=NO)c1.
What is the InChIKey of 2-(3-heptylphenyl)-2-hydroxyiminoethanol?
The InChIKey is SRRUMEDYTBMXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-4-5-6-8-13-9-7-10-14(11-13)15(12-17)16-18/h7,9-11,17-18H,2-6,8,12H2,1H3.
What are the key properties of 2-(3-heptylphenyl)-2-hydroxyiminoethanol?
2-(3-heptylphenyl)-2-hydroxyiminoethanol has a molecular weight of 249.35 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptylphenyl)-2-hydroxyiminoethanol is sourced from PubChem (CID 173361947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).