3-methoxyphenanthrene-2-carboxylic acid

C16H12O3 — CID 44721157

IUPAC3-methoxyphenanthrene-2-carboxylic acid
SMILESCOc1cc2c(ccc3ccccc32)cc1C(=O)O
InChIInChI=1S/C16H12O3/c1-19-15-9-13-11(8-14(15)16(17)18)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3,(H,17,18)
InChIKeyLEQNHGIIJUYKKQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.70
Rot. Bonds2

About 3-methoxyphenanthrene-2-carboxylic acid

3-methoxyphenanthrene-2-carboxylic acid (PubChem CID 44721157) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methoxyphenanthrene-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxyphenanthrene-2-carboxylic acid
PubChem CID44721157
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-methoxyphenanthrene-2-carboxylic acid
SMILESCOc1cc2c(ccc3ccccc32)cc1C(=O)O
InChIInChI=1S/C16H12O3/c1-19-15-9-13-11(8-14(15)16(17)18)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3,(H,17,18)
InChIKeyLEQNHGIIJUYKKQ-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
3,6-dimethoxyphenanthrene-9-carboxylic acid;phenanthrene-1-carboxylic acid
CID 141397623
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
6-methoxychrysene
CID 12935769
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
4-methoxy-1-phenylnaphthalene-2-carboxylic acid
CID 12870686
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
CID 101146176
CID 101146176
3-methoxy-5-[4-(4-methylbenzoyl)phenoxy]naphthalene-2-carboxylic acid
CID 130396444
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
3,4,6,7-tetramethoxyphenanthrene-9-carboxylic acid
CID 141397610

Frequently Asked Questions

What is the IUPAC name of 3-methoxyphenanthrene-2-carboxylic acid?
The IUPAC name of 3-methoxyphenanthrene-2-carboxylic acid (CID 44721157) is 3-methoxyphenanthrene-2-carboxylic acid.
What is the SMILES notation for 3-methoxyphenanthrene-2-carboxylic acid?
The canonical SMILES for 3-methoxyphenanthrene-2-carboxylic acid is COc1cc2c(ccc3ccccc32)cc1C(=O)O.
What is the InChIKey of 3-methoxyphenanthrene-2-carboxylic acid?
The InChIKey is LEQNHGIIJUYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-19-15-9-13-11(8-14(15)16(17)18)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3,(H,17,18).
What are the key properties of 3-methoxyphenanthrene-2-carboxylic acid?
3-methoxyphenanthrene-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyphenanthrene-2-carboxylic acid is sourced from PubChem (CID 44721157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).