2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol

C15H14ClNO3 — CID 135595566

IUPAC2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO3/c1-19-12-4-5-14(18)10(7-12)9-17-11-3-6-15(20-2)13(16)8-11/h3-9,18H,1-2H3/b17-9+
InChIKeyHDPYHDXFWKMDGN-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.81
Rot. Bonds4

About 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol

2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol (PubChem CID 135595566) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
PubChem CID135595566
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C15H14ClNO3/c1-19-12-4-5-14(18)10(7-12)9-17-11-3-6-15(20-2)13(16)8-11/h3-9,18H,1-2H3/b17-9+
InChIKeyHDPYHDXFWKMDGN-RQZCQDPDSA-N
XLogP3.81
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4850531
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
CID 137122842
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-methoxy-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenol
CID 135774295
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
CID 135855363
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol (CID 135595566) is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/c2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol?
The InChIKey is HDPYHDXFWKMDGN-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-12-4-5-14(18)10(7-12)9-17-11-3-6-15(20-2)13(16)8-11/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol?
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol has a molecular weight of 291.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135595566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).