(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol

C16H17NO2 — CID 11777130

IUPAC(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESN[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2/t12-,13-/m0/s1
InChIKeySSUNCBAILFPJRJ-STQMWFEESA-N
MW255.32 g/mol
LogP2.50
Rot. Bonds1

About (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol

(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol (PubChem CID 11777130) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol.

Molecular Properties

Compound Name(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
PubChem CID11777130
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
SMILESN[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1
InChIInChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2/t12-,13-/m0/s1
InChIKeySSUNCBAILFPJRJ-STQMWFEESA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The IUPAC name of (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol (CID 11777130) is (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol.
What is the SMILES notation for (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The canonical SMILES for (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol is N[C@H]1Cc2cc(O)c(O)cc2[C@H](c2ccccc2)C1.
What is the InChIKey of (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
The InChIKey is SSUNCBAILFPJRJ-STQMWFEESA-N. The full InChI is InChI=1S/C16H17NO2/c17-12-6-11-7-15(18)16(19)9-14(11)13(8-12)10-4-2-1-3-5-10/h1-5,7,9,12-13,18-19H,6,8,17H2/t12-,13-/m0/s1.
What are the key properties of (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol?
(5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol has a molecular weight of 255.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-7-amino-5-phenyl-5,6,7,8-tetrahydronaphthalene-2,3-diol is sourced from PubChem (CID 11777130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).