7-methoxyphenanthrene-2,4,5-triol

C15H12O4 — CID 134154603

IUPAC7-methoxyphenanthrene-2,4,5-triol
SMILESCOc1cc(O)c2c(ccc3cc(O)cc(O)c32)c1
InChIInChI=1S/C15H12O4/c1-19-11-5-9-3-2-8-4-10(16)6-12(17)14(8)15(9)13(18)7-11/h2-7,16-18H,1H3
InChIKeyIQNTVFCKFSVGEO-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.12
Rot. Bonds1

About 7-methoxyphenanthrene-2,4,5-triol

7-methoxyphenanthrene-2,4,5-triol (PubChem CID 134154603) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-methoxyphenanthrene-2,4,5-triol.

Molecular Properties

Compound Name7-methoxyphenanthrene-2,4,5-triol
PubChem CID134154603
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name7-methoxyphenanthrene-2,4,5-triol
SMILESCOc1cc(O)c2c(ccc3cc(O)cc(O)c32)c1
InChIInChI=1S/C15H12O4/c1-19-11-5-9-3-2-8-4-10(16)6-12(17)14(8)15(9)13(18)7-11/h2-7,16-18H,1H3
InChIKeyIQNTVFCKFSVGEO-UHFFFAOYSA-N
XLogP3.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyphenanthrene-2,4,5-triol?
The IUPAC name of 7-methoxyphenanthrene-2,4,5-triol (CID 134154603) is 7-methoxyphenanthrene-2,4,5-triol.
What is the SMILES notation for 7-methoxyphenanthrene-2,4,5-triol?
The canonical SMILES for 7-methoxyphenanthrene-2,4,5-triol is COc1cc(O)c2c(ccc3cc(O)cc(O)c32)c1.
What is the InChIKey of 7-methoxyphenanthrene-2,4,5-triol?
The InChIKey is IQNTVFCKFSVGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-19-11-5-9-3-2-8-4-10(16)6-12(17)14(8)15(9)13(18)7-11/h2-7,16-18H,1H3.
What are the key properties of 7-methoxyphenanthrene-2,4,5-triol?
7-methoxyphenanthrene-2,4,5-triol has a molecular weight of 256.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyphenanthrene-2,4,5-triol is sourced from PubChem (CID 134154603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).