4-(4-chloronaphthalen-1-yl)pentanoic acid

C15H15ClO2 — CID 113306220

IUPAC4-(4-chloronaphthalen-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO2/c1-10(6-9-15(17)18)11-7-8-14(16)13-5-3-2-4-12(11)13/h2-5,7-8,10H,6,9H2,1H3,(H,17,18)
InChIKeyUCERKBCUTGGXPX-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.46
Rot. Bonds4

About 4-(4-chloronaphthalen-1-yl)pentanoic acid

4-(4-chloronaphthalen-1-yl)pentanoic acid (PubChem CID 113306220) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)pentanoic acid
PubChem CID113306220
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name4-(4-chloronaphthalen-1-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO2/c1-10(6-9-15(17)18)11-7-8-14(16)13-5-3-2-4-12(11)13/h2-5,7-8,10H,6,9H2,1H3,(H,17,18)
InChIKeyUCERKBCUTGGXPX-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
CID 79597519
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide
CID 167984225
4-(4-chloro-1H-indol-3-yl)pentanoic acid
CID 115420859
1-chloro-4-(1-chloro-3-methylbutyl)naphthalene
CID 79596838
4-(4-bromo-5-chloro-2-fluorophenyl)pentanoic acid
CID 105398437
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
1-(4-chloronaphthalen-1-yl)nonan-1-ol
CID 79592377
3-(2-chlorophenyl)butanoic acid
CID 54775987

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)pentanoic acid?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)pentanoic acid (CID 113306220) is 4-(4-chloronaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)pentanoic acid is CC(CCC(=O)O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)pentanoic acid?
The InChIKey is UCERKBCUTGGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-10(6-9-15(17)18)11-7-8-14(16)13-5-3-2-4-12(11)13/h2-5,7-8,10H,6,9H2,1H3,(H,17,18).
What are the key properties of 4-(4-chloronaphthalen-1-yl)pentanoic acid?
4-(4-chloronaphthalen-1-yl)pentanoic acid has a molecular weight of 262.74 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 113306220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).