(2-hydroxyphenanthridin-1-yl) acetate

C15H11NO3 — CID 140732919

IUPAC(2-hydroxyphenanthridin-1-yl) acetate
SMILESCC(=O)Oc1c(O)ccc2ncc3ccccc3c12
InChIInChI=1S/C15H11NO3/c1-9(17)19-15-13(18)7-6-12-14(15)11-5-3-2-4-10(11)8-16-12/h2-8,18H,1H3
InChIKeySEEALGSSYQGMED-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.02
Rot. Bonds1

About (2-hydroxyphenanthridin-1-yl) acetate

(2-hydroxyphenanthridin-1-yl) acetate (PubChem CID 140732919) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2-hydroxyphenanthridin-1-yl) acetate.

Molecular Properties

Compound Name(2-hydroxyphenanthridin-1-yl) acetate
PubChem CID140732919
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(2-hydroxyphenanthridin-1-yl) acetate
SMILESCC(=O)Oc1c(O)ccc2ncc3ccccc3c12
InChIInChI=1S/C15H11NO3/c1-9(17)19-15-13(18)7-6-12-14(15)11-5-3-2-4-10(11)8-16-12/h2-8,18H,1H3
InChIKeySEEALGSSYQGMED-UHFFFAOYSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dihydroxyphenyl) acetate
CID 19910305
diphenanthridin-1-yl (Z)-but-2-enedioate
CID 175422022
(2,3-dihydroxynaphthalen-1-yl) acetate
CID 154088408
2-phenanthridin-1-ylacetic acid
CID 141175956
1,2-difluorophenanthridine
CID 175109006
phenanthridine-1-thiol
CID 135666738
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
1,2-dinitrophenanthridine
CID 154382496
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
(3-acetyloxy-2,4-dihydroxyphenyl) acetate
CID 23045362
2-(azidomethyl)-1-methoxyphenanthridine
CID 150621389
1-bromophenanthridine;hydrate
CID 175162345

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenanthridin-1-yl) acetate?
The IUPAC name of (2-hydroxyphenanthridin-1-yl) acetate (CID 140732919) is (2-hydroxyphenanthridin-1-yl) acetate.
What is the SMILES notation for (2-hydroxyphenanthridin-1-yl) acetate?
The canonical SMILES for (2-hydroxyphenanthridin-1-yl) acetate is CC(=O)Oc1c(O)ccc2ncc3ccccc3c12.
What is the InChIKey of (2-hydroxyphenanthridin-1-yl) acetate?
The InChIKey is SEEALGSSYQGMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9(17)19-15-13(18)7-6-12-14(15)11-5-3-2-4-10(11)8-16-12/h2-8,18H,1H3.
What are the key properties of (2-hydroxyphenanthridin-1-yl) acetate?
(2-hydroxyphenanthridin-1-yl) acetate has a molecular weight of 253.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenanthridin-1-yl) acetate is sourced from PubChem (CID 140732919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).