(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol

C11H11NO — CID 124707804

IUPAC(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
SMILESO[C@@H]1Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C11H11NO/c13-9-4-7-2-1-3-10-11(7)8(5-9)6-12-10/h1-3,6,9,12-13H,4-5H2/t9-/m1/s1
InChIKeyQWRFREJCCPEOHH-SECBINFHSA-N
MW173.22 g/mol
LogP1.63
Rot. Bonds

About (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol

(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol (PubChem CID 124707804) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol.

Molecular Properties

Compound Name(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
PubChem CID124707804
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
SMILESO[C@@H]1Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C11H11NO/c13-9-4-7-2-1-3-10-11(7)8(5-9)6-12-10/h1-3,6,9,12-13H,4-5H2/t9-/m1/s1
InChIKeyQWRFREJCCPEOHH-SECBINFHSA-N
XLogP1.63
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol?
The IUPAC name of (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol (CID 124707804) is (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol.
What is the SMILES notation for (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol?
The canonical SMILES for (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol is O[C@@H]1Cc2cccc3[nH]cc(c23)C1.
What is the InChIKey of (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol?
The InChIKey is QWRFREJCCPEOHH-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO/c13-9-4-7-2-1-3-10-11(7)8(5-9)6-12-10/h1-3,6,9,12-13H,4-5H2/t9-/m1/s1.
What are the key properties of (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol?
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol has a molecular weight of 173.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol is sourced from PubChem (CID 124707804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).