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

C15H15ClO3 — CID 55047842

IUPAC4-(4-chloronaphthalen-1-yl)oxypentanoic acid
SMILESCC(CCC(=O)O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO3/c1-10(6-9-15(17)18)19-14-8-7-13(16)11-4-2-3-5-12(11)14/h2-5,7-8,10H,6,9H2,1H3,(H,17,18)
InChIKeyKIQCYMNMRPNKND-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.13
Rot. Bonds5

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

4-(4-chloronaphthalen-1-yl)oxypentanoic acid (PubChem CID 55047842) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxypentanoic acid.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxypentanoic acid
PubChem CID55047842
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name4-(4-chloronaphthalen-1-yl)oxypentanoic acid
SMILESCC(CCC(=O)O)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C15H15ClO3/c1-10(6-9-15(17)18)19-14-8-7-13(16)11-4-2-3-5-12(11)14/h2-5,7-8,10H,6,9H2,1H3,(H,17,18)
InChIKeyKIQCYMNMRPNKND-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513
2-(4-chloronaphthalen-1-yl)oxy-1-(4-chlorophenyl)propan-1-one
CID 4833725
2-(4-chloronaphthalen-1-yl)oxy-N-propylpropan-1-amine
CID 62484684
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749
N-[4-[(2R)-2-(4-chloronaphthalen-1-yl)oxypropanoyl]phenyl]acetamide
CID 25362280
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
3-(4-chloronaphthalen-1-yl)oxypentan-1-amine
CID 43804632

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxypentanoic acid?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxypentanoic acid (CID 55047842) is 4-(4-chloronaphthalen-1-yl)oxypentanoic acid.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxypentanoic acid?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxypentanoic acid is CC(CCC(=O)O)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxypentanoic acid?
The InChIKey is KIQCYMNMRPNKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3/c1-10(6-9-15(17)18)19-14-8-7-13(16)11-4-2-3-5-12(11)14/h2-5,7-8,10H,6,9H2,1H3,(H,17,18).
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxypentanoic acid?
4-(4-chloronaphthalen-1-yl)oxypentanoic acid has a molecular weight of 278.74 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxypentanoic acid is sourced from PubChem (CID 55047842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).