1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one

C31H27NO3 — CID 137175953

IUPAC1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one
SMILESCc1ccc(/N=C2\c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C(=O)c3cccc(O)c32)cc1
InChIInChI=1S/C31H27NO3/c1-19-11-15-21(16-12-19)32-29-23-7-6-10-26(35-22-17-13-20(14-18-22)31(2,3)4)28(23)30(34)24-8-5-9-25(33)27(24)29/h5-18,33H,1-4H3/b32-29+
InChIKeyJPMLPNFNAOLGAW-UUDCSCGESA-N
MW461.56 g/mol
LogP7.50
Rot. Bonds3

About 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one

1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one (PubChem CID 137175953) has the molecular formula C31H27NO3 and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one
PubChem CID137175953
Molecular FormulaC31H27NO3
Molecular Weight461.56 g/mol
Exact Mass461.20
IUPAC Name1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one
SMILESCc1ccc(/N=C2\c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C(=O)c3cccc(O)c32)cc1
InChIInChI=1S/C31H27NO3/c1-19-11-15-21(16-12-19)32-29-23-7-6-10-26(35-22-17-13-20(14-18-22)31(2,3)4)28(23)30(34)24-8-5-9-25(33)27(24)29/h5-18,33H,1-4H3/b32-29+
InChIKeyJPMLPNFNAOLGAW-UUDCSCGESA-N
XLogP7.50
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-10-phenyliminoanthracen-9-one
CID 136857426
5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
CID 122185484
[5-(4-methylbenzoyl)oxy-9,10-dioxoanthracen-1-yl] 4-methylbenzoate
CID 11134561
2-(4-tert-butylphenyl)sulfanyl-5-hydroxy-4-phenyliminonaphthalen-1-one
CID 137296820
[4-(4-tert-butylphenoxy)phenyl]-diphenylsulfanium;[4-(4-tert-butylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;[4-(4-methylphenoxy)phenyl]-diphenylsulfanium;[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;(4-methylphenyl)-(4-phenoxyphenyl)-phenylsulfanium
CID 161018367
6-(4-tert-butylphenoxy)-2-(2-hydroxyphenyl)-4-methylbenzo[e]perimidin-7-one;ethane
CID 136617365
2-(4-tert-butylphenoxy)benzoate
CID 22015143
2-amino-1-(4-tert-butylphenoxy)anthracene-9,10-dione
CID 2848108
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
(4-methylphenyl) 1-hydroxy-9,10-dioxoanthracene-2-carboxylate
CID 3126046
5-(4-methylphenoxy)acenaphthylene-1,2-dione
CID 54769993
2,3-bis(4-methylphenoxy)naphthalene-1,4-dione
CID 14091253

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one?
The IUPAC name of 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one (CID 137175953) is 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one?
The canonical SMILES for 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one is Cc1ccc(/N=C2\c3cccc(Oc4ccc(C(C)(C)C)cc4)c3C(=O)c3cccc(O)c32)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one?
The InChIKey is JPMLPNFNAOLGAW-UUDCSCGESA-N. The full InChI is InChI=1S/C31H27NO3/c1-19-11-15-21(16-12-19)32-29-23-7-6-10-26(35-22-17-13-20(14-18-22)31(2,3)4)28(23)30(34)24-8-5-9-25(33)27(24)29/h5-18,33H,1-4H3/b32-29+.
What are the key properties of 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one?
1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one has a molecular weight of 461.56 g/mol, XLogP of 7.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-5-hydroxy-10-(4-methylphenyl)iminoanthracen-9-one is sourced from PubChem (CID 137175953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).