9H-phenalene-1-carboxylic acid

C14H10O2 — CID 18755217

IUPAC9H-phenalene-1-carboxylic acid
SMILESO=C(O)c1ccc2cccc3c2c1CC=C3
InChIInChI=1S/C14H10O2/c15-14(16)12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-5,7-8H,6H2,(H,15,16)
InChIKeyMEQMOUMWWNKGPY-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.11
Rot. Bonds1

About 9H-phenalene-1-carboxylic acid

9H-phenalene-1-carboxylic acid (PubChem CID 18755217) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 9H-phenalene-1-carboxylic acid.

Molecular Properties

Compound Name9H-phenalene-1-carboxylic acid
PubChem CID18755217
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name9H-phenalene-1-carboxylic acid
SMILESO=C(O)c1ccc2cccc3c2c1CC=C3
InChIInChI=1S/C14H10O2/c15-14(16)12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-5,7-8H,6H2,(H,15,16)
InChIKeyMEQMOUMWWNKGPY-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-carbamoylnaphthalene-2-carboxylic acid;1H-phenalene
CID 174922794
2-oxatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaene-3-carboxylic acid
CID 90117914
1H-phenalene;prop-2-ynoic acid
CID 174671367
1H-phenalene;propanoic acid
CID 174844804
benzene;1H-phenalene;sulfane
CID 174365170
ethane;1-(9H-phenalen-1-ylsulfonyl)pyrrolidine
CID 91555918
2-aminopropanoic acid;2-hydroxybenzoic acid;1H-phenalene
CID 175572663
acetylene;benzene;1H-phenalene
CID 174693937
ethanediperoxoic acid;1H-phenalene
CID 174546441
1H-phenalene;hydrofluoride
CID 174317076
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
cyclobutene;1H-phenalene
CID 175310152

Frequently Asked Questions

What is the IUPAC name of 9H-phenalene-1-carboxylic acid?
The IUPAC name of 9H-phenalene-1-carboxylic acid (CID 18755217) is 9H-phenalene-1-carboxylic acid.
What is the SMILES notation for 9H-phenalene-1-carboxylic acid?
The canonical SMILES for 9H-phenalene-1-carboxylic acid is O=C(O)c1ccc2cccc3c2c1CC=C3.
What is the InChIKey of 9H-phenalene-1-carboxylic acid?
The InChIKey is MEQMOUMWWNKGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-14(16)12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of 9H-phenalene-1-carboxylic acid?
9H-phenalene-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-phenalene-1-carboxylic acid is sourced from PubChem (CID 18755217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).