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

C22H17NO4 — CID 135462299

IUPAC10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
SMILESCOc1ccc(/N=C/c2c3cccc(O)c3c(O)c3c(O)cccc23)cc1
InChIInChI=1S/C22H17NO4/c1-27-14-10-8-13(9-11-14)23-12-17-15-4-2-6-18(24)20(15)22(26)21-16(17)5-3-7-19(21)25/h2-12,24-26H,1H3/b23-12+
InChIKeyMDHPEIRHKMJVQQ-FSJBWODESA-N
MW359.38 g/mol
LogP4.87
Rot. Bonds3

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

10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol (PubChem CID 135462299) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol.

Molecular Properties

Compound Name10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
PubChem CID135462299
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
SMILESCOc1ccc(/N=C/c2c3cccc(O)c3c(O)c3c(O)cccc23)cc1
InChIInChI=1S/C22H17NO4/c1-27-14-10-8-13(9-11-14)23-12-17-15-4-2-6-18(24)20(15)22(26)21-16(17)5-3-7-19(21)25/h2-12,24-26H,1H3/b23-12+
InChIKeyMDHPEIRHKMJVQQ-FSJBWODESA-N
XLogP4.87
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-chlorophenyl)iminomethyl]anthracene-1,8,9-triol
CID 135476168
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
1-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)methanimine
CID 927293
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481
10-(1,3-benzodioxol-5-yliminomethyl)anthracene-1,8,9-triol
CID 135419334
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
CID 870605
1-[(4-propoxyphenyl)iminomethyl]naphthalen-2-ol
CID 135713314
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
3-bromo-2-methoxy-5-[(4-methoxyphenyl)iminomethyl]phenol
CID 71417095
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
CID 5210378

Frequently Asked Questions

What is the IUPAC name of 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol?
The IUPAC name of 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol (CID 135462299) is 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol.
What is the SMILES notation for 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol?
The canonical SMILES for 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol is COc1ccc(/N=C/c2c3cccc(O)c3c(O)c3c(O)cccc23)cc1.
What is the InChIKey of 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol?
The InChIKey is MDHPEIRHKMJVQQ-FSJBWODESA-N. The full InChI is InChI=1S/C22H17NO4/c1-27-14-10-8-13(9-11-14)23-12-17-15-4-2-6-18(24)20(15)22(26)21-16(17)5-3-7-19(21)25/h2-12,24-26H,1H3/b23-12+.
What are the key properties of 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol?
10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol has a molecular weight of 359.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol is sourced from PubChem (CID 135462299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).