ethane;2-naphthalen-1-ylpropanoic acid

C15H18O2 — CID 144663129

IUPACethane;2-naphthalen-1-ylpropanoic acid
SMILESCC.CC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H12O2.C2H6/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11;1-2/h2-9H,1H3,(H,14,15);1-2H3
InChIKeyKIVDWUWXJMZSTK-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.05
Rot. Bonds2

About ethane;2-naphthalen-1-ylpropanoic acid

ethane;2-naphthalen-1-ylpropanoic acid (PubChem CID 144663129) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethane;2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Nameethane;2-naphthalen-1-ylpropanoic acid
PubChem CID144663129
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethane;2-naphthalen-1-ylpropanoic acid
SMILESCC.CC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C13H12O2.C2H6/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11;1-2/h2-9H,1H3,(H,14,15);1-2H3
InChIKeyKIVDWUWXJMZSTK-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-anthracen-1-ylpropanoic acid
CID 57031488
(2S)-2-(7-hydroxynaphthalen-1-yl)propanoic acid
CID 124560296
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
2-fluoro-3-naphthalen-1-ylbutanoic acid
CID 81357950
2-naphthalen-1-ylpropanehydrazide
CID 116843953
3-naphthalen-1-ylbutanoic acid
CID 43211329
N,N',2-trimethyl-N'-[(2S)-2-naphthalen-1-ylpropanoyl]propanehydrazide
CID 27877300
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572

Frequently Asked Questions

What is the IUPAC name of ethane;2-naphthalen-1-ylpropanoic acid?
The IUPAC name of ethane;2-naphthalen-1-ylpropanoic acid (CID 144663129) is ethane;2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for ethane;2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for ethane;2-naphthalen-1-ylpropanoic acid is CC.CC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of ethane;2-naphthalen-1-ylpropanoic acid?
The InChIKey is KIVDWUWXJMZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C2H6/c1-9(13(14)15)11-8-4-6-10-5-2-3-7-12(10)11;1-2/h2-9H,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-naphthalen-1-ylpropanoic acid?
ethane;2-naphthalen-1-ylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 144663129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).