5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol

C22H27NO2 — CID 72505231

IUPAC5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
SMILESCc1cc2c(cc1-c1ccc(C=NO)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H27NO2/c1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-17(14)16-7-6-15(13-23-25)11-20(16)24/h6-7,10-13,24-25H,8-9H2,1-5H3
InChIKeyXDBDYUILKDBARK-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.52
Rot. Bonds2

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

5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol (PubChem CID 72505231) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol.

Molecular Properties

Compound Name5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
PubChem CID72505231
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol
SMILESCc1cc2c(cc1-c1ccc(C=NO)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C22H27NO2/c1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-17(14)16-7-6-15(13-23-25)11-20(16)24/h6-7,10-13,24-25H,8-9H2,1-5H3
InChIKeyXDBDYUILKDBARK-UHFFFAOYSA-N
XLogP5.52
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?
The IUPAC name of 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol (CID 72505231) is 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol.
What is the SMILES notation for 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?
The canonical SMILES for 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol is Cc1cc2c(cc1-c1ccc(C=NO)cc1O)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?
The InChIKey is XDBDYUILKDBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-14-10-18-19(22(4,5)9-8-21(18,2)3)12-17(14)16-7-6-15(13-23-25)11-20(16)24/h6-7,10-13,24-25H,8-9H2,1-5H3.
What are the key properties of 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol?
5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol has a molecular weight of 337.46 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyiminomethyl)-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenol is sourced from PubChem (CID 72505231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).