3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol

C16H17NO3 — CID 3055484

IUPAC3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
SMILESCOc1ccc(/C=N/CC(O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-7-5-12(6-8-15)10-17-11-16(19)13-3-2-4-14(18)9-13/h2-10,16,18-19H,11H2,1H3/b17-10+
InChIKeyKCVHTBXGCUHZDQ-LICLKQGHSA-N
MW271.32 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol

3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol (PubChem CID 3055484) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
PubChem CID3055484
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
SMILESCOc1ccc(/C=N/CC(O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-20-15-7-5-12(6-8-15)10-17-11-16(19)13-3-2-4-14(18)9-13/h2-10,16,18-19H,11H2,1H3/b17-10+
InChIKeyKCVHTBXGCUHZDQ-LICLKQGHSA-N
XLogP2.55
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol
CID 135504152
(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 24774769
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710
3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
4-[(3-hydroxyphenyl)diazenyl]-3-[(4-methoxyphenyl)methylideneamino]phenol
CID 135771816
3-[1-hydroxy-2-(4-methylphenoxy)ethyl]phenol
CID 117242770
3-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 110509088
3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 91295364
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol (CID 3055484) is 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol is COc1ccc(/C=N/CC(O)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol?
The InChIKey is KCVHTBXGCUHZDQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-15-7-5-12(6-8-15)10-17-11-16(19)13-3-2-4-14(18)9-13/h2-10,16,18-19H,11H2,1H3/b17-10+.
What are the key properties of 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol?
3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol is sourced from PubChem (CID 3055484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).