1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione

C19H16O3 — CID 68600365

IUPAC1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione
SMILESC=CC(C)(C)C1=C(O)c2ccc3ccccc3c2C(=O)C1=O
InChIInChI=1S/C19H16O3/c1-4-19(2,3)15-16(20)13-10-9-11-7-5-6-8-12(11)14(13)17(21)18(15)22/h4-10,20H,1H2,2-3H3
InChIKeyZXGLZYGRAFSVLM-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.09
Rot. Bonds2

About 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione

1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione (PubChem CID 68600365) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione.

Molecular Properties

Compound Name1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione
PubChem CID68600365
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione
SMILESC=CC(C)(C)C1=C(O)c2ccc3ccccc3c2C(=O)C1=O
InChIInChI=1S/C19H16O3/c1-4-19(2,3)15-16(20)13-10-9-11-7-5-6-8-12(11)14(13)17(21)18(15)22/h4-10,20H,1H2,2-3H3
InChIKeyZXGLZYGRAFSVLM-UHFFFAOYSA-N
XLogP4.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyphenanthrene-3,4-dione
CID 14905308
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
CID 145356574
CID 145356574
benzo[c]fluoren-7-one
CID 22413
2-(10,11-dioxonaphtho[1,2-g][1]benzofuran-1-yl)propanoic acid
CID 174684586
methyl 9-ethyl-11-oxobenzo[a]fluorene-10-carboxylate
CID 680481
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
8,9,10,11-tetradeuteriobenzo[a]anthracene-7,12-dione
CID 169434082
heptacyclo[15.12.0.02,15.03,12.04,9.020,29.023,28]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20(29),21,23,25,27-tetradecaen-16-one
CID 102495054

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione?
The IUPAC name of 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione (CID 68600365) is 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione.
What is the SMILES notation for 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione?
The canonical SMILES for 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione is C=CC(C)(C)C1=C(O)c2ccc3ccccc3c2C(=O)C1=O.
What is the InChIKey of 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione?
The InChIKey is ZXGLZYGRAFSVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-4-19(2,3)15-16(20)13-10-9-11-7-5-6-8-12(11)14(13)17(21)18(15)22/h4-10,20H,1H2,2-3H3.
What are the key properties of 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione?
1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione has a molecular weight of 292.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-methylbut-3-en-2-yl)phenanthrene-3,4-dione is sourced from PubChem (CID 68600365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).