2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol

C15H14ClNO2 — CID 135595429

IUPAC2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-19-14-5-6-15(18)12(8-14)10-17-9-11-3-2-4-13(16)7-11/h2-8,10,18H,9H2,1H3/b17-10+
InChIKeySHTCSSSNEAUTND-LICLKQGHSA-N
MW275.74 g/mol
LogP3.67
Rot. Bonds4

About 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol

2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol (PubChem CID 135595429) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
PubChem CID135595429
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-19-14-5-6-15(18)12(8-14)10-17-9-11-3-2-4-13(16)7-11/h2-8,10,18H,9H2,1H3/b17-10+
InChIKeySHTCSSSNEAUTND-LICLKQGHSA-N
XLogP3.67
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
CID 135818045
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
CID 2806894
[(2S)-1-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 135758068
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-methoxyphenol
CID 135757984

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol (CID 135595429) is 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol?
The InChIKey is SHTCSSSNEAUTND-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-14-5-6-15(18)12(8-14)10-17-9-11-3-2-4-13(16)7-11/h2-8,10,18H,9H2,1H3/b17-10+.
What are the key properties of 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol?
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol has a molecular weight of 275.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol is sourced from PubChem (CID 135595429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).