5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one

C18H19NO4 — CID 148927508

IUPAC5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cccc(CO)c21
InChIInChI=1S/C18H19NO4/c1-4-19-17-11(10-20)6-5-7-12(17)13-8-15(22-2)16(23-3)9-14(13)18(19)21/h5-9,20H,4,10H2,1-3H3
InChIKeyPLGVIACLWVKXPH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.68
Rot. Bonds4

About 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one

5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one (PubChem CID 148927508) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one
PubChem CID148927508
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one
SMILESCCn1c(=O)c2cc(OC)c(OC)cc2c2cccc(CO)c21
InChIInChI=1S/C18H19NO4/c1-4-19-17-11(10-20)6-5-7-12(17)13-8-15(22-2)16(23-3)9-14(13)18(19)21/h5-9,20H,4,10H2,1-3H3
InChIKeyPLGVIACLWVKXPH-UHFFFAOYSA-N
XLogP2.68
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2,3,8,9-tetramethoxyphenanthridin-6-one
CID 10405159
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
CID 10245385
(6-ethoxy-7-methoxynaphthalen-1-yl)methanol;hydrochloride
CID 172703770
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione
CID 134998755
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 11054801
6-(hydroxymethyl)-2,3,4-trimethoxybenzo[7]annulen-5-one
CID 118359993
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
(2-(111C)methoxyphenyl)methanol
CID 59897789
12,13-dimethoxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
CID 134391780

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one?
The IUPAC name of 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one (CID 148927508) is 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one.
What is the SMILES notation for 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one?
The canonical SMILES for 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one is CCn1c(=O)c2cc(OC)c(OC)cc2c2cccc(CO)c21.
What is the InChIKey of 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one?
The InChIKey is PLGVIACLWVKXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-19-17-11(10-20)6-5-7-12(17)13-8-15(22-2)16(23-3)9-14(13)18(19)21/h5-9,20H,4,10H2,1-3H3.
What are the key properties of 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one?
5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one has a molecular weight of 313.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(hydroxymethyl)-8,9-dimethoxyphenanthridin-6-one is sourced from PubChem (CID 148927508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).