7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione

C16H12O5 — CID 86032430

IUPAC7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione
SMILESCOc1c(O)cc2ccc3c(c2c1OC)C(=O)C=CC3=O
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-8-3-4-9-10(17)5-6-11(18)14(9)13(8)16(15)21-2/h3-7,19H,1-2H3
InChIKeyKMYRVQBRKKRMGD-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.50
Rot. Bonds2

About 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione

7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione (PubChem CID 86032430) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione.

Molecular Properties

Compound Name7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione
PubChem CID86032430
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione
SMILESCOc1c(O)cc2ccc3c(c2c1OC)C(=O)C=CC3=O
InChIInChI=1S/C16H12O5/c1-20-15-12(19)7-8-3-4-9-10(17)5-6-11(18)14(9)13(8)16(15)21-2/h3-7,19H,1-2H3
InChIKeyKMYRVQBRKKRMGD-UHFFFAOYSA-N
XLogP2.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-5,8-dimethoxyphenanthrene-1,4-dione
CID 23251757
8-hydroxy-1,2,3-trimethoxybenzo[a]anthracene-7,12-dione
CID 11175958
6-methoxyanthracene-1,4-dione
CID 70804223
5-hydroxynaphthalene-1,4-dione;molecular fluorine
CID 158904542
5-hydroxynaphthalene-1,4-dione;propan-2-ol
CID 174921085
4-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-3H-benzo[f][2]benzofuran-1-one
CID 54081891
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
7-hydroxy-3,8-dimethoxyphenanthrene-1,4-dione
CID 23251770
8-acetyl-6-hydroxy-7-methoxychromen-2-one
CID 161217673
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
6,13-dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
CID 11737608
6,7-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
CID 86142829

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione?
The IUPAC name of 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione (CID 86032430) is 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione.
What is the SMILES notation for 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione?
The canonical SMILES for 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione is COc1c(O)cc2ccc3c(c2c1OC)C(=O)C=CC3=O.
What is the InChIKey of 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione?
The InChIKey is KMYRVQBRKKRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-15-12(19)7-8-3-4-9-10(17)5-6-11(18)14(9)13(8)16(15)21-2/h3-7,19H,1-2H3.
What are the key properties of 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione?
7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione has a molecular weight of 284.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5,6-dimethoxyphenanthrene-1,4-dione is sourced from PubChem (CID 86032430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).