5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol

C23H29NO3 — CID 59065283

About 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol

5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol (PubChem CID 59065283) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol.

Molecular Properties

• Compound Name: 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
• PubChem CID: 59065283
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.21
• IUPAC Name: 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
• SMILES: COc1c(O)cc(/C=N/O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C23H29NO3/c1-14-9-18-19(23(4,5)8-7-22(18,2)3)12-16(14)17-10-15(13-24-26)11-20(25)21(17)27-6/h9-13,25-26H,7-8H2,1-6H3/b24-13+
• InChIKey: FUDHGMGFXOIDOA-ZMOGYAJESA-N
• XLogP: 5.53
• TPSA: 62.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?

The IUPAC name of 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol (CID 59065283) is 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol.

What is the SMILES notation for 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?

The canonical SMILES for 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol is COc1c(O)cc(/C=N/O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C.

What is the InChIKey of 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?

The InChIKey is FUDHGMGFXOIDOA-ZMOGYAJESA-N. The full InChI is InChI=1S/C23H29NO3/c1-14-9-18-19(23(4,5)8-7-22(18,2)3)12-16(14)17-10-15(13-24-26)11-20(25)21(17)27-6/h9-13,25-26H,7-8H2,1-6H3/b24-13+.

What are the key properties of 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?

5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol has a molecular weight of 367.49 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-hydroxyiminomethyl]-2-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol is sourced from PubChem (CID 59065283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).