2-(3H-phenalen-1-yl)acetic acid

C15H12O2 — CID 140967462

IUPAC2-(3H-phenalen-1-yl)acetic acid
SMILESO=C(O)CC1=CCc2cccc3cccc1c23
InChIInChI=1S/C15H12O2/c16-14(17)9-12-8-7-11-4-1-3-10-5-2-6-13(12)15(10)11/h1-6,8H,7,9H2,(H,16,17)
InChIKeyUUCXJYOPNQRREU-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.25
Rot. Bonds2

About 2-(3H-phenalen-1-yl)acetic acid

2-(3H-phenalen-1-yl)acetic acid (PubChem CID 140967462) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3H-phenalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3H-phenalen-1-yl)acetic acid
PubChem CID140967462
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2-(3H-phenalen-1-yl)acetic acid
SMILESO=C(O)CC1=CCc2cccc3cccc1c23
InChIInChI=1S/C15H12O2/c16-14(17)9-12-8-7-11-4-1-3-10-5-2-6-13(12)15(10)11/h1-6,8H,7,9H2,(H,16,17)
InChIKeyUUCXJYOPNQRREU-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-phenalen-1-ylmethanol
CID 174363850
3-butyl-1H-phenalene
CID 174644054
3H-phenalen-1-ol
CID 69253021
CID 175026640
CID 175026640
ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
CID 142209991
acetic acid;3H-inden-1-ylmethanol
CID 71363289
1H-phenalene;propanoic acid
CID 174844804
2-(5-chloro-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105479967
2-(1-phenyl-3,4-dihydronaphthalen-2-yl)acetic acid
CID 59227588
2-(1-hydroxy-3,4-dihydronaphthalen-2-yl)acetic acid
CID 135204848
ethyl 2-(2H-acenaphthylen-1-ylidene)acetate
CID 70179131
2-perylen-1-ylacetic acid
CID 161167078

Frequently Asked Questions

What is the IUPAC name of 2-(3H-phenalen-1-yl)acetic acid?
The IUPAC name of 2-(3H-phenalen-1-yl)acetic acid (CID 140967462) is 2-(3H-phenalen-1-yl)acetic acid.
What is the SMILES notation for 2-(3H-phenalen-1-yl)acetic acid?
The canonical SMILES for 2-(3H-phenalen-1-yl)acetic acid is O=C(O)CC1=CCc2cccc3cccc1c23.
What is the InChIKey of 2-(3H-phenalen-1-yl)acetic acid?
The InChIKey is UUCXJYOPNQRREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-14(17)9-12-8-7-11-4-1-3-10-5-2-6-13(12)15(10)11/h1-6,8H,7,9H2,(H,16,17).
What are the key properties of 2-(3H-phenalen-1-yl)acetic acid?
2-(3H-phenalen-1-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-phenalen-1-yl)acetic acid is sourced from PubChem (CID 140967462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).