phenanthrene-2,3-diol

C14H10O2 — CID 23048019

IUPACphenanthrene-2,3-diol
SMILESOc1cc2ccc3ccccc3c2cc1O
InChIInChI=1S/C14H10O2/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-8,15-16H
InChIKeyDEPKPGBSQLCQKX-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.40
Rot. Bonds

About phenanthrene-2,3-diol

phenanthrene-2,3-diol (PubChem CID 23048019) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is phenanthrene-2,3-diol.

Molecular Properties

Compound Namephenanthrene-2,3-diol
PubChem CID23048019
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Namephenanthrene-2,3-diol
SMILESOc1cc2ccc3ccccc3c2cc1O
InChIInChI=1S/C14H10O2/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-8,15-16H
InChIKeyDEPKPGBSQLCQKX-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of phenanthrene-2,3-diol?
The IUPAC name of phenanthrene-2,3-diol (CID 23048019) is phenanthrene-2,3-diol.
What is the SMILES notation for phenanthrene-2,3-diol?
The canonical SMILES for phenanthrene-2,3-diol is Oc1cc2ccc3ccccc3c2cc1O.
What is the InChIKey of phenanthrene-2,3-diol?
The InChIKey is DEPKPGBSQLCQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14(13)16/h1-8,15-16H.
What are the key properties of phenanthrene-2,3-diol?
phenanthrene-2,3-diol has a molecular weight of 210.23 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-2,3-diol is sourced from PubChem (CID 23048019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).