4a,5-dihydrophenanthridin-10-ol

C13H11NO — CID 57204550

IUPAC4a,5-dihydrophenanthridin-10-ol
SMILESOc1cccc2c1=C1C=CC=CC1NC=2
InChIInChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-8,11,14-15H
InChIKeyBWCWFWOQIXSCNQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.38
Rot. Bonds

About 4a,5-dihydrophenanthridin-10-ol

4a,5-dihydrophenanthridin-10-ol (PubChem CID 57204550) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4a,5-dihydrophenanthridin-10-ol.

Molecular Properties

Compound Name4a,5-dihydrophenanthridin-10-ol
PubChem CID57204550
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4a,5-dihydrophenanthridin-10-ol
SMILESOc1cccc2c1=C1C=CC=CC1NC=2
InChIInChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-8,11,14-15H
InChIKeyBWCWFWOQIXSCNQ-UHFFFAOYSA-N
XLogP0.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,8a-Dihydroquinolin-8-ol
CID 58161039
(2R,4aS)-2-cyclohexa-1,5-dien-1-yl-1,2,4a,8a-tetrahydroquinoline-4,7-diol
CID 71219985
5-methylidene-1H-quinolin-8-ol
CID 87400395
1,5-Dihydrophenanthridin-2-ol
CID 87984856
(2R,4aS)-2-cyclohexa-1,5-dien-1-yl-7-sulfanyloxy-1,2,4a,8a-tetrahydroquinolin-4-ol
CID 89384402
2,3-Dihydroisoquinolin-5-ol
CID 91247829
1,2,3,4,4a,5-Hexahydrophenanthridin-7-ol
CID 140547611
1,8a-Dihydroquinolin-4-ol
CID 143552880
6-Ethyl-2,3-dihydroisoquinolin-8-ol
CID 174963305
1,7a-Dihydroindol-5-ol
CID 176545639
1,2,3,10-Tetrahydrobenzo[h]quinolin-10-ol
CID 164149601
1,5-Dihydroquinolin-8-ol
CID 165154010

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydrophenanthridin-10-ol?
The IUPAC name of 4a,5-dihydrophenanthridin-10-ol (CID 57204550) is 4a,5-dihydrophenanthridin-10-ol.
What is the SMILES notation for 4a,5-dihydrophenanthridin-10-ol?
The canonical SMILES for 4a,5-dihydrophenanthridin-10-ol is Oc1cccc2c1=C1C=CC=CC1NC=2.
What is the InChIKey of 4a,5-dihydrophenanthridin-10-ol?
The InChIKey is BWCWFWOQIXSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c15-12-7-3-4-9-8-14-11-6-2-1-5-10(11)13(9)12/h1-8,11,14-15H.
What are the key properties of 4a,5-dihydrophenanthridin-10-ol?
4a,5-dihydrophenanthridin-10-ol has a molecular weight of 197.24 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydrophenanthridin-10-ol is sourced from PubChem (CID 57204550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).