ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one

C20H23NO3 — CID 172595850

IUPACethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one
SMILESC=C.CC(CO)CCc1ccc2c(c1)c(=O)[nH]c1cc(O)ccc12
InChIInChI=1S/C18H19NO3.C2H4/c1-11(10-20)2-3-12-4-6-14-15-7-5-13(21)9-17(15)19-18(22)16(14)8-12;1-2/h4-9,11,20-21H,2-3,10H2,1H3,(H,19,22);1-2H2
InChIKeyTWNQAMHJGSCXAS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.75
Rot. Bonds4

About ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one

ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one (PubChem CID 172595850) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one.

Molecular Properties

Compound Nameethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one
PubChem CID172595850
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one
SMILESC=C.CC(CO)CCc1ccc2c(c1)c(=O)[nH]c1cc(O)ccc12
InChIInChI=1S/C18H19NO3.C2H4/c1-11(10-20)2-3-12-4-6-14-15-7-5-13(21)9-17(15)19-18(22)16(14)8-12;1-2/h4-9,11,20-21H,2-3,10H2,1H3,(H,19,22);1-2H2
InChIKeyTWNQAMHJGSCXAS-UHFFFAOYSA-N
XLogP3.75
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-8-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-5H-phenanthridin-6-one
CID 164597940
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
CID 164598426
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
2-[7-(2-hydroxyethyl)-9H-carbazol-2-yl]ethanol
CID 67360001
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
4-(3-methylpentyl)phenol
CID 57225129
4-(4,4-difluorobutyl)-7-hydroxy-1H-quinolin-2-one
CID 123785354
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509
4-(3,5-dimethyloctyl)phenol
CID 174906830
7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115028648

Frequently Asked Questions

What is the IUPAC name of ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one?
The IUPAC name of ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one (CID 172595850) is ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one.
What is the SMILES notation for ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one?
The canonical SMILES for ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one is C=C.CC(CO)CCc1ccc2c(c1)c(=O)[nH]c1cc(O)ccc12.
What is the InChIKey of ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one?
The InChIKey is TWNQAMHJGSCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3.C2H4/c1-11(10-20)2-3-12-4-6-14-15-7-5-13(21)9-17(15)19-18(22)16(14)8-12;1-2/h4-9,11,20-21H,2-3,10H2,1H3,(H,19,22);1-2H2.
What are the key properties of ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one?
ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one has a molecular weight of 325.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-hydroxy-8-(4-hydroxy-3-methylbutyl)-5H-phenanthridin-6-one is sourced from PubChem (CID 172595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).