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

C14H13ClO3 — CID 43351513

IUPAC4-(4-chloronaphthalen-1-yl)oxybutanoic acid
SMILESO=C(O)CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H13ClO3/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H,16,17)
InChIKeyRSDGOSUZHPLRKH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.74
Rot. Bonds5

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

4-(4-chloronaphthalen-1-yl)oxybutanoic acid (PubChem CID 43351513) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxybutanoic acid.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxybutanoic acid
PubChem CID43351513
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name4-(4-chloronaphthalen-1-yl)oxybutanoic acid
SMILESO=C(O)CCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H13ClO3/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H,16,17)
InChIKeyRSDGOSUZHPLRKH-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitronaphthalen-1-yl)oxybutanoic acid
CID 63690121
2-(4-chloronaphthalen-1-yl)oxy-1-cyclopropylethanone
CID 63905355
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
4-(4-chloronaphthalen-1-yl)oxypentanoic acid
CID 55047842
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
5-amino-5-(4-chloronaphthalen-1-yl)pentanoic acid
CID 79597519
N-benzyl-3-(4-chloronaphthalen-1-yl)oxypropan-1-amine
CID 2184430
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
(Z)-7-[(1R,2S,3R)-5-chloro-2-[(4-chloronaphthalen-1-yl)oxymethyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 67529087
3-(4-chloronaphthalen-1-yl)propanoic acid
CID 82264749

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxybutanoic acid?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxybutanoic acid (CID 43351513) is 4-(4-chloronaphthalen-1-yl)oxybutanoic acid.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxybutanoic acid?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxybutanoic acid is O=C(O)CCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxybutanoic acid?
The InChIKey is RSDGOSUZHPLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-12-7-8-13(18-9-3-6-14(16)17)11-5-2-1-4-10(11)12/h1-2,4-5,7-8H,3,6,9H2,(H,16,17).
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxybutanoic acid?
4-(4-chloronaphthalen-1-yl)oxybutanoic acid has a molecular weight of 264.71 g/mol, XLogP of 3.74, 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)oxybutanoic acid is sourced from PubChem (CID 43351513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).