6-amino-1,2-dihydrochrysene-1,2-diol

C18H15NO2 — CID 3025891

IUPAC6-amino-1,2-dihydrochrysene-1,2-diol
SMILESNc1cc2c3c(ccc2c2ccccc12)C(O)C(O)C=C3
InChIInChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2
InChIKeyBDQUGJCOXDENQA-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.00
Rot. Bonds

About 6-amino-1,2-dihydrochrysene-1,2-diol

6-amino-1,2-dihydrochrysene-1,2-diol (PubChem CID 3025891) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-amino-1,2-dihydrochrysene-1,2-diol.

Molecular Properties

Compound Name6-amino-1,2-dihydrochrysene-1,2-diol
PubChem CID3025891
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name6-amino-1,2-dihydrochrysene-1,2-diol
SMILESNc1cc2c3c(ccc2c2ccccc12)C(O)C(O)C=C3
InChIInChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2
InChIKeyBDQUGJCOXDENQA-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2-dihydrochrysene-1,2-diol?
The IUPAC name of 6-amino-1,2-dihydrochrysene-1,2-diol (CID 3025891) is 6-amino-1,2-dihydrochrysene-1,2-diol.
What is the SMILES notation for 6-amino-1,2-dihydrochrysene-1,2-diol?
The canonical SMILES for 6-amino-1,2-dihydrochrysene-1,2-diol is Nc1cc2c3c(ccc2c2ccccc12)C(O)C(O)C=C3.
What is the InChIKey of 6-amino-1,2-dihydrochrysene-1,2-diol?
The InChIKey is BDQUGJCOXDENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-16-9-15-11(10-3-1-2-4-13(10)16)5-6-14-12(15)7-8-17(20)18(14)21/h1-9,17-18,20-21H,19H2.
What are the key properties of 6-amino-1,2-dihydrochrysene-1,2-diol?
6-amino-1,2-dihydrochrysene-1,2-diol has a molecular weight of 277.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2-dihydrochrysene-1,2-diol is sourced from PubChem (CID 3025891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).