3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one

C19H17NO3 — CID 164597940

IUPAC3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2ccc(C34CC(CO)(C3)C4)cc12
InChIInChI=1S/C19H17NO3/c21-10-18-7-19(8-18,9-18)11-1-3-13-14-4-2-12(22)6-16(14)20-17(23)15(13)5-11/h1-6,21-22H,7-10H2,(H,20,23)
InChIKeyFJCFMSOQMSNFCT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds2

About 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one

3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one (PubChem CID 164597940) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one.

Molecular Properties

Compound Name3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one
PubChem CID164597940
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)ccc2c2ccc(C34CC(CO)(C3)C4)cc12
InChIInChI=1S/C19H17NO3/c21-10-18-7-19(8-18,9-18)11-1-3-13-14-4-2-12(22)6-16(14)20-17(23)15(13)5-11/h1-6,21-22H,7-10H2,(H,20,23)
InChIKeyFJCFMSOQMSNFCT-UHFFFAOYSA-N
XLogP2.80
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one
CID 172595850
2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
CID 164598426
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
7-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115023788
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115028648
1,10-difluoro-3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]benzo[c]chromen-6-one
CID 164598380
3-cyclopropyl-7-hydroxy-1H-quinazoline-2,4-dione
CID 117261706
CID 70460275
CID 70460275
7-hydroxy-2-sulfanylidene-1,3-benzoxazin-4-one
CID 11446889
(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718225

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one?
The IUPAC name of 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one (CID 164597940) is 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one.
What is the SMILES notation for 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one?
The canonical SMILES for 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one is O=c1[nH]c2cc(O)ccc2c2ccc(C34CC(CO)(C3)C4)cc12.
What is the InChIKey of 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one?
The InChIKey is FJCFMSOQMSNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-10-18-7-19(8-18,9-18)11-1-3-13-14-4-2-12(22)6-16(14)20-17(23)15(13)5-11/h1-6,21-22H,7-10H2,(H,20,23).
What are the key properties of 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one?
3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one has a molecular weight of 307.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one is sourced from PubChem (CID 164597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).