2-(5-methylnaphthalen-2-yl)propanoic acid

C14H14O2 — CID 54247261

IUPAC2-(5-methylnaphthalen-2-yl)propanoic acid
SMILESCc1cccc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C14H14O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
InChIKeyQUDLSNUADXJIBK-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.34
Rot. Bonds2

About 2-(5-methylnaphthalen-2-yl)propanoic acid

2-(5-methylnaphthalen-2-yl)propanoic acid (PubChem CID 54247261) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(5-methylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methylnaphthalen-2-yl)propanoic acid
PubChem CID54247261
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(5-methylnaphthalen-2-yl)propanoic acid
SMILESCc1cccc2cc(C(C)C(=O)O)ccc12
InChIInChI=1S/C14H14O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16)
InChIKeyQUDLSNUADXJIBK-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-6-propan-2-ylnaphthalene
CID 58126565
2-perylen-2-ylpropanoic acid
CID 175106469
4-[[6-(1-carboxyethyl)naphthalen-1-yl]diazenyl]-3,5-dinitrobenzoic acid
CID 102588597
2-(4-methyl-3-phenylphenyl)propanoic acid
CID 117353578
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
carbonic acid;1-methylnaphthalene
CID 66808059
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
5-methylnaphthalene-2-carboxamide
CID 89351493
2-phthalazin-6-ylpropanoic acid
CID 117290775
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylnaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(5-methylnaphthalen-2-yl)propanoic acid (CID 54247261) is 2-(5-methylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-methylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(5-methylnaphthalen-2-yl)propanoic acid is Cc1cccc2cc(C(C)C(=O)O)ccc12.
What is the InChIKey of 2-(5-methylnaphthalen-2-yl)propanoic acid?
The InChIKey is QUDLSNUADXJIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-4-3-5-12-8-11(6-7-13(9)12)10(2)14(15)16/h3-8,10H,1-2H3,(H,15,16).
What are the key properties of 2-(5-methylnaphthalen-2-yl)propanoic acid?
2-(5-methylnaphthalen-2-yl)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 54247261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).