1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one

C16H14ClNO2 — CID 71070201

IUPAC1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-12(19)11-20-16-5-3-2-4-13(16)10-18-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3/b18-10+
InChIKeyNGUAQBUZFSYUIU-VCHYOVAHSA-N
MW287.75 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one

1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one (PubChem CID 71070201) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
PubChem CID71070201
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccccc1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-12(19)11-20-16-5-3-2-4-13(16)10-18-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3/b18-10+
InChIKeyNGUAQBUZFSYUIU-VCHYOVAHSA-N
XLogP4.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
CID 7640518
N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
CID 4660053
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
methyl (E)-3-(4-chlorophenyl)-2-[[2-[(E)-hydroxyiminomethyl]phenoxy]methyl]prop-2-enoate
CID 139082024
1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 63566014
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
2-[2-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220488
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
2-[2-[(Z)-[(2,4-dichlorophenyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8981080

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one?
The IUPAC name of 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one (CID 71070201) is 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one?
The canonical SMILES for 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one is CC(=O)COc1ccccc1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one?
The InChIKey is NGUAQBUZFSYUIU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-12(19)11-20-16-5-3-2-4-13(16)10-18-15-8-6-14(17)7-9-15/h2-10H,11H2,1H3/b18-10+.
What are the key properties of 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one?
1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one has a molecular weight of 287.75 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one is sourced from PubChem (CID 71070201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).