1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol

C19H31NO2 — CID 173065274

IUPAC1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1cccc(C=NO)c1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-13-19(21)15-17-11-10-12-18(14-17)16-20-22/h10-12,14,16,19,21-22H,2-9,13,15H2,1H3
InChIKeyMIYOMJLSCMRDAZ-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.93
Rot. Bonds12

About 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol

1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol (PubChem CID 173065274) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
PubChem CID173065274
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1cccc(C=NO)c1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-13-19(21)15-17-11-10-12-18(14-17)16-20-22/h10-12,14,16,19,21-22H,2-9,13,15H2,1H3
InChIKeyMIYOMJLSCMRDAZ-UHFFFAOYSA-N
XLogP4.93
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.93
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

1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
CID 173167260
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
5-(2-hydroxyheptadecyl)benzene-1,3-diol
CID 15775325
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
1-[3-(pyridin-2-ylmethoxy)phenyl]heptan-2-ol;hydrochloride
CID 21280485
1-(3-methylphenyl)nonan-3-ol
CID 105085389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol?
The IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol (CID 173065274) is 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol.
What is the SMILES notation for 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol?
The canonical SMILES for 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol is CCCCCCCCCCC(O)Cc1cccc(C=NO)c1.
What is the InChIKey of 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol?
The InChIKey is MIYOMJLSCMRDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-8-9-13-19(21)15-17-11-10-12-18(14-17)16-20-22/h10-12,14,16,19,21-22H,2-9,13,15H2,1H3.
What are the key properties of 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol?
1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol has a molecular weight of 305.46 g/mol, XLogP of 4.93, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol is sourced from PubChem (CID 173065274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).