10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol

C21H14ClNO3 — CID 135476168

IUPAC10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol
SMILESOc1cccc2c(/C=N/c3ccc(Cl)cc3)c3cccc(O)c3c(O)c12
InChIInChI=1S/C21H14ClNO3/c22-12-7-9-13(10-8-12)23-11-16-14-3-1-5-17(24)19(14)21(26)20-15(16)4-2-6-18(20)25/h1-11,24-26H/b23-11+
InChIKeyXLOQXMJNLDVRGZ-FOKLQQMPSA-N
MW363.80 g/mol
LogP5.51
Rot. Bonds2

About 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol

10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol (PubChem CID 135476168) has the molecular formula C21H14ClNO3 and a molecular weight of 363.80 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol.

Molecular Properties

Compound Name10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol
PubChem CID135476168
Molecular FormulaC21H14ClNO3
Molecular Weight363.80 g/mol
Exact Mass363.07
IUPAC Name10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol
SMILESOc1cccc2c(/C=N/c3ccc(Cl)cc3)c3cccc(O)c3c(O)c12
InChIInChI=1S/C21H14ClNO3/c22-12-7-9-13(10-8-12)23-11-16-14-3-1-5-17(24)19(14)21(26)20-15(16)4-2-6-18(20)25/h1-11,24-26H/b23-11+
InChIKeyXLOQXMJNLDVRGZ-FOKLQQMPSA-N
XLogP5.51
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
CID 135462299
10-(1,3-benzodioxol-5-yliminomethyl)anthracene-1,8,9-triol
CID 135419334
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
CID 23329324
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
anthracene-1,5,9,10-tetrol
CID 71371518
anthracene-1,4,5,9,10-pentol
CID 14166820
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2288283
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
3-[(4-chlorophenyl)iminomethyl]-4,7-dihydroxychromen-2-one
CID 137304097
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
1-anthracen-9-yl-N-(3,5-dichlorophenyl)methanimine
CID 4162835

Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol?
The IUPAC name of 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol (CID 135476168) is 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol.
What is the SMILES notation for 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol?
The canonical SMILES for 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol is Oc1cccc2c(/C=N/c3ccc(Cl)cc3)c3cccc(O)c3c(O)c12.
What is the InChIKey of 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol?
The InChIKey is XLOQXMJNLDVRGZ-FOKLQQMPSA-N. The full InChI is InChI=1S/C21H14ClNO3/c22-12-7-9-13(10-8-12)23-11-16-14-3-1-5-17(24)19(14)21(26)20-15(16)4-2-6-18(20)25/h1-11,24-26H/b23-11+.
What are the key properties of 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol?
10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol has a molecular weight of 363.80 g/mol, XLogP of 5.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)iminomethyl]anthracene-1,8,9-triol is sourced from PubChem (CID 135476168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).