methyl 6H-phenalene-2-carboxylate

C15H12O2 — CID 142201169

IUPACmethyl 6H-phenalene-2-carboxylate
SMILESCOC(=O)c1cc2c3c(cccc3c1)CC=C2
InChIInChI=1S/C15H12O2/c1-17-15(16)13-8-11-6-2-4-10-5-3-7-12(9-13)14(10)11/h2-4,6-9H,5H2,1H3
InChIKeyCVRXOEPKNGHXSW-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.20
Rot. Bonds1

About methyl 6H-phenalene-2-carboxylate

methyl 6H-phenalene-2-carboxylate (PubChem CID 142201169) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 6H-phenalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6H-phenalene-2-carboxylate
PubChem CID142201169
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Namemethyl 6H-phenalene-2-carboxylate
SMILESCOC(=O)c1cc2c3c(cccc3c1)CC=C2
InChIInChI=1S/C15H12O2/c1-17-15(16)13-8-11-6-2-4-10-5-3-7-12(9-13)14(10)11/h2-4,6-9H,5H2,1H3
InChIKeyCVRXOEPKNGHXSW-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 6H-phenalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanediperoxoic acid;1H-phenalene
CID 174546441
methyl tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaene-4-carboxylate
CID 141037893
1H-phenalene;hydrofluoride
CID 174317076
cyclobutene;1H-phenalene
CID 175310152
ethane;isocyanic acid;1H-phenalene
CID 175301579
acetylene;benzene;1H-phenalene
CID 174693937
1,1-difluoro-2-oxo-2-(6H-phenalen-2-ylmethoxy)ethanesulfonic acid
CID 89185303
4-methyl-1H-phenalene;1H-phenalene
CID 173399695
ethane;methyl naphthalene-2-carboxylate
CID 143895262
4H-phenalen-2-amine
CID 142737453
1,3-dioxol-2-one;1H-phenalene
CID 175175207
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of methyl 6H-phenalene-2-carboxylate?
The IUPAC name of methyl 6H-phenalene-2-carboxylate (CID 142201169) is methyl 6H-phenalene-2-carboxylate.
What is the SMILES notation for methyl 6H-phenalene-2-carboxylate?
The canonical SMILES for methyl 6H-phenalene-2-carboxylate is COC(=O)c1cc2c3c(cccc3c1)CC=C2.
What is the InChIKey of methyl 6H-phenalene-2-carboxylate?
The InChIKey is CVRXOEPKNGHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-17-15(16)13-8-11-6-2-4-10-5-3-7-12(9-13)14(10)11/h2-4,6-9H,5H2,1H3.
What are the key properties of methyl 6H-phenalene-2-carboxylate?
methyl 6H-phenalene-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6H-phenalene-2-carboxylate is sourced from PubChem (CID 142201169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).