6-hydroxyphenanthrene-1-carbaldehyde

C15H10O2 — CID 130176583

IUPAC6-hydroxyphenanthrene-1-carbaldehyde
SMILESO=Cc1cccc2c1ccc1ccc(O)cc12
InChIInChI=1S/C15H10O2/c16-9-11-2-1-3-14-13(11)7-5-10-4-6-12(17)8-15(10)14/h1-9,17H
InChIKeyUWNZCRWCNCFQTM-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.51
Rot. Bonds1

About 6-hydroxyphenanthrene-1-carbaldehyde

6-hydroxyphenanthrene-1-carbaldehyde (PubChem CID 130176583) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-hydroxyphenanthrene-1-carbaldehyde.

Molecular Properties

Compound Name6-hydroxyphenanthrene-1-carbaldehyde
PubChem CID130176583
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name6-hydroxyphenanthrene-1-carbaldehyde
SMILESO=Cc1cccc2c1ccc1ccc(O)cc12
InChIInChI=1S/C15H10O2/c16-9-11-2-1-3-14-13(11)7-5-10-4-6-12(17)8-15(10)14/h1-9,17H
InChIKeyUWNZCRWCNCFQTM-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 6-hydroxyphenanthrene-1-carbaldehyde?
The IUPAC name of 6-hydroxyphenanthrene-1-carbaldehyde (CID 130176583) is 6-hydroxyphenanthrene-1-carbaldehyde.
What is the SMILES notation for 6-hydroxyphenanthrene-1-carbaldehyde?
The canonical SMILES for 6-hydroxyphenanthrene-1-carbaldehyde is O=Cc1cccc2c1ccc1ccc(O)cc12.
What is the InChIKey of 6-hydroxyphenanthrene-1-carbaldehyde?
The InChIKey is UWNZCRWCNCFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-9-11-2-1-3-14-13(11)7-5-10-4-6-12(17)8-15(10)14/h1-9,17H.
What are the key properties of 6-hydroxyphenanthrene-1-carbaldehyde?
6-hydroxyphenanthrene-1-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyphenanthrene-1-carbaldehyde is sourced from PubChem (CID 130176583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).