phenanthrene-3-carboxylic acid

C15H10O2 — CID 24056

IUPACphenanthrene-3-carboxylic acid
SMILESO=C(O)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17)
InChIKeyWYQIVZKSGGKUAX-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.69
Rot. Bonds1

About phenanthrene-3-carboxylic acid

phenanthrene-3-carboxylic acid (PubChem CID 24056) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is phenanthrene-3-carboxylic acid.

Molecular Properties

Compound Namephenanthrene-3-carboxylic acid
PubChem CID24056
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Namephenanthrene-3-carboxylic acid
SMILESO=C(O)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17)
InChIKeyWYQIVZKSGGKUAX-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthaleneacetic Acid
CID 6862
Bexarotene
CID 82146
Arotinoid acid
CID 5289501
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
1-Naphthoic acid
CID 6847
2,6-Naphthalenedicarboxylic acid
CID 14357
4-Ethylbenzoic Acid
CID 12086
3,4-Dimethylbenzoic acid
CID 12073
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2-Naphthoic acid
CID 7123

Frequently Asked Questions

What is the IUPAC name of phenanthrene-3-carboxylic acid?
The IUPAC name of phenanthrene-3-carboxylic acid (CID 24056) is phenanthrene-3-carboxylic acid.
What is the SMILES notation for phenanthrene-3-carboxylic acid?
The canonical SMILES for phenanthrene-3-carboxylic acid is O=C(O)c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of phenanthrene-3-carboxylic acid?
The InChIKey is WYQIVZKSGGKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-15(17)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H,(H,16,17).
What are the key properties of phenanthrene-3-carboxylic acid?
phenanthrene-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-3-carboxylic acid is sourced from PubChem (CID 24056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).