4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol

C23H27NO2 — CID 90719552

IUPAC4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol
SMILESCCONC1=CC2CCc3cc(O)ccc3C2(Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c1-2-26-24-20-12-13-23(16-17-6-4-3-5-7-17)19(15-20)9-8-18-14-21(25)10-11-22(18)23/h3-7,10-11,14-15,19,24-25H,2,8-9,12-13,16H2,1H3
InChIKeyJIEOOYCNUZQYDM-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.65
Rot. Bonds5

About 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol

4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol (PubChem CID 90719552) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol.

Molecular Properties

Compound Name4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol
PubChem CID90719552
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol
SMILESCCONC1=CC2CCc3cc(O)ccc3C2(Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO2/c1-2-26-24-20-12-13-23(16-17-6-4-3-5-7-17)19(15-20)9-8-18-14-21(25)10-11-22(18)23/h3-7,10-11,14-15,19,24-25H,2,8-9,12-13,16H2,1H3
InChIKeyJIEOOYCNUZQYDM-UHFFFAOYSA-N
XLogP4.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol?
The IUPAC name of 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol (CID 90719552) is 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol.
What is the SMILES notation for 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol?
The canonical SMILES for 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol is CCONC1=CC2CCc3cc(O)ccc3C2(Cc2ccccc2)CC1.
What is the InChIKey of 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol?
The InChIKey is JIEOOYCNUZQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-26-24-20-12-13-23(16-17-6-4-3-5-7-17)19(15-20)9-8-18-14-21(25)10-11-22(18)23/h3-7,10-11,14-15,19,24-25H,2,8-9,12-13,16H2,1H3.
What are the key properties of 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol?
4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol has a molecular weight of 349.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-benzyl-7-(ethoxyamino)-6,8a,9,10-tetrahydro-5H-phenanthren-2-ol is sourced from PubChem (CID 90719552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).