5,7-dimethoxyphenanthrene-1,2,3-triol

C16H14O5 — CID 71597149

IUPAC5,7-dimethoxyphenanthrene-1,2,3-triol
SMILESCOc1cc(OC)c2c(ccc3c(O)c(O)c(O)cc32)c1
InChIInChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(14(8)13(6-9)21-2)7-12(17)16(19)15(10)18/h3-7,17-19H,1-2H3
InChIKeyXBRWZGJRPNVSKC-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.13
Rot. Bonds2

About 5,7-dimethoxyphenanthrene-1,2,3-triol

5,7-dimethoxyphenanthrene-1,2,3-triol (PubChem CID 71597149) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5,7-dimethoxyphenanthrene-1,2,3-triol.

Molecular Properties

Compound Name5,7-dimethoxyphenanthrene-1,2,3-triol
PubChem CID71597149
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name5,7-dimethoxyphenanthrene-1,2,3-triol
SMILESCOc1cc(OC)c2c(ccc3c(O)c(O)c(O)cc32)c1
InChIInChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(14(8)13(6-9)21-2)7-12(17)16(19)15(10)18/h3-7,17-19H,1-2H3
InChIKeyXBRWZGJRPNVSKC-UHFFFAOYSA-N
XLogP3.13
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,7-dimethoxyphenanthrene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
1,3,7-trimethoxynaphthalene
CID 102088907
1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
CID 86198082
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
4-methoxyphenanthren-2-ol
CID 139248183
2-(3-fluoro-4-hydroxyphenyl)-6,8-dimethoxyisoquinolin-1-one
CID 67465247
1-(6,8-dimethoxynaphthalen-1-yl)-3-hydroxypropan-2-one
CID 70253962
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
(3R)-5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene-3,6-diol
CID 162886547
5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaene-3,6-diol
CID 162886546

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxyphenanthrene-1,2,3-triol?
The IUPAC name of 5,7-dimethoxyphenanthrene-1,2,3-triol (CID 71597149) is 5,7-dimethoxyphenanthrene-1,2,3-triol.
What is the SMILES notation for 5,7-dimethoxyphenanthrene-1,2,3-triol?
The canonical SMILES for 5,7-dimethoxyphenanthrene-1,2,3-triol is COc1cc(OC)c2c(ccc3c(O)c(O)c(O)cc32)c1.
What is the InChIKey of 5,7-dimethoxyphenanthrene-1,2,3-triol?
The InChIKey is XBRWZGJRPNVSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(14(8)13(6-9)21-2)7-12(17)16(19)15(10)18/h3-7,17-19H,1-2H3.
What are the key properties of 5,7-dimethoxyphenanthrene-1,2,3-triol?
5,7-dimethoxyphenanthrene-1,2,3-triol has a molecular weight of 286.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxyphenanthrene-1,2,3-triol is sourced from PubChem (CID 71597149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).