3H-benzo[e]indol-1-ol

C12H9NO — CID 69001321

IUPAC3H-benzo[e]indol-1-ol
SMILESOc1c[nH]c2ccc3ccccc3c12
InChIInChI=1S/C12H9NO/c14-11-7-13-10-6-5-8-3-1-2-4-9(8)12(10)11/h1-7,13-14H
InChIKeyCCFOHIPRHCTGSM-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.03
Rot. Bonds

About 3H-benzo[e]indol-1-ol

3H-benzo[e]indol-1-ol (PubChem CID 69001321) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 3H-benzo[e]indol-1-ol.

Molecular Properties

Compound Name3H-benzo[e]indol-1-ol
PubChem CID69001321
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name3H-benzo[e]indol-1-ol
SMILESOc1c[nH]c2ccc3ccccc3c12
InChIInChI=1S/C12H9NO/c14-11-7-13-10-6-5-8-3-1-2-4-9(8)12(10)11/h1-7,13-14H
InChIKeyCCFOHIPRHCTGSM-UHFFFAOYSA-N
XLogP3.03
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-benzo[e]indol-1-ol?
The IUPAC name of 3H-benzo[e]indol-1-ol (CID 69001321) is 3H-benzo[e]indol-1-ol.
What is the SMILES notation for 3H-benzo[e]indol-1-ol?
The canonical SMILES for 3H-benzo[e]indol-1-ol is Oc1c[nH]c2ccc3ccccc3c12.
What is the InChIKey of 3H-benzo[e]indol-1-ol?
The InChIKey is CCFOHIPRHCTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-11-7-13-10-6-5-8-3-1-2-4-9(8)12(10)11/h1-7,13-14H.
What are the key properties of 3H-benzo[e]indol-1-ol?
3H-benzo[e]indol-1-ol has a molecular weight of 183.21 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[e]indol-1-ol is sourced from PubChem (CID 69001321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).