4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol

C21H18ClNO3 — CID 50885952

IUPAC4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2ccc(O)cc2)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c1-25-20-8-4-6-15(13-23-17-9-11-18(24)12-10-17)21(20)26-14-16-5-2-3-7-19(16)22/h2-13,24H,14H2,1H3/b23-13+
InChIKeyUBYDDGQKNNANHI-YDZHTSKRSA-N
MW367.83 g/mol
LogP5.38
Rot. Bonds6

About 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol

4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol (PubChem CID 50885952) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
PubChem CID50885952
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
SMILESCOc1cccc(/C=N/c2ccc(O)cc2)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3/c1-25-20-8-4-6-15(13-23-17-9-11-18(24)12-10-17)21(20)26-14-16-5-2-3-7-19(16)22/h2-13,24H,14H2,1H3/b23-13+
InChIKeyUBYDDGQKNNANHI-YDZHTSKRSA-N
XLogP5.38
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.38
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

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
N-[(E)-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340261
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
4-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N,N-dimethylaniline
CID 5032689
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110840891
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
CID 7640518
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 1227621
4-[[2-[(4-carboxyphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193715
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol (CID 50885952) is 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol is COc1cccc(/C=N/c2ccc(O)cc2)c1OCc1ccccc1Cl.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol?
The InChIKey is UBYDDGQKNNANHI-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-25-20-8-4-6-15(13-23-17-9-11-18(24)12-10-17)21(20)26-14-16-5-2-3-7-19(16)22/h2-13,24H,14H2,1H3/b23-13+.
What are the key properties of 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol?
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol has a molecular weight of 367.83 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol is sourced from PubChem (CID 50885952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).