(2-hydroxy-5-pentylphenyl) methanimidate

C12H17NO2 — CID 142271017

IUPAC(2-hydroxy-5-pentylphenyl) methanimidate
SMILES[H]/N=C/Oc1cc(CCCCC)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-10-6-7-11(14)12(8-10)15-9-13/h6-9,13-14H,2-5H2,1H3/b13-9+
InChIKeyDJLLJASCWIBMQC-UKTHLTGXSA-N
MW207.27 g/mol
LogP3.11
Rot. Bonds6

About (2-hydroxy-5-pentylphenyl) methanimidate

(2-hydroxy-5-pentylphenyl) methanimidate (PubChem CID 142271017) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-hydroxy-5-pentylphenyl) methanimidate.

Molecular Properties

Compound Name(2-hydroxy-5-pentylphenyl) methanimidate
PubChem CID142271017
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-hydroxy-5-pentylphenyl) methanimidate
SMILES[H]/N=C/Oc1cc(CCCCC)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-3-4-5-10-6-7-11(14)12(8-10)15-9-13/h6-9,13-14H,2-5H2,1H3/b13-9+
InChIKeyDJLLJASCWIBMQC-UKTHLTGXSA-N
XLogP3.11
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.11
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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
2-ethyl-4-heptylphenol
CID 58289223
2-tert-butyl-4-pentylphenol
CID 19933254
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
ethane;2-methoxy-4-propylphenol
CID 144852330
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-pentylphenyl) methanimidate?
The IUPAC name of (2-hydroxy-5-pentylphenyl) methanimidate (CID 142271017) is (2-hydroxy-5-pentylphenyl) methanimidate.
What is the SMILES notation for (2-hydroxy-5-pentylphenyl) methanimidate?
The canonical SMILES for (2-hydroxy-5-pentylphenyl) methanimidate is [H]/N=C/Oc1cc(CCCCC)ccc1O.
What is the InChIKey of (2-hydroxy-5-pentylphenyl) methanimidate?
The InChIKey is DJLLJASCWIBMQC-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-5-10-6-7-11(14)12(8-10)15-9-13/h6-9,13-14H,2-5H2,1H3/b13-9+.
What are the key properties of (2-hydroxy-5-pentylphenyl) methanimidate?
(2-hydroxy-5-pentylphenyl) methanimidate has a molecular weight of 207.27 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-pentylphenyl) methanimidate is sourced from PubChem (CID 142271017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).