5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid

C21H18Cl2O4 — CID 70542007

IUPAC5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid
SMILESO=C(O)C(O)C(CCOc1ccc(Cl)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H18Cl2O4/c22-14-8-9-19(18(23)12-14)27-11-10-17(20(24)21(25)26)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,17,20,24H,10-11H2,(H,25,26)
InChIKeyRJAZYOHNAHGFJR-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.14
Rot. Bonds7

About 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid

5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid (PubChem CID 70542007) has the molecular formula C21H18Cl2O4 and a molecular weight of 405.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid
PubChem CID70542007
Molecular FormulaC21H18Cl2O4
Molecular Weight405.28 g/mol
Exact Mass404.06
IUPAC Name5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid
SMILESO=C(O)C(O)C(CCOc1ccc(Cl)cc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H18Cl2O4/c22-14-8-9-19(18(23)12-14)27-11-10-17(20(24)21(25)26)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,17,20,24H,10-11H2,(H,25,26)
InChIKeyRJAZYOHNAHGFJR-UHFFFAOYSA-N
XLogP5.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
2-(2,4-dichlorophenoxy)-4-(2,4,5-trichlorophenoxy)butanoic acid
CID 57350820
2-[2-(2,4-dichlorophenoxy)ethoxy]naphthalene-1-carbothioamide
CID 22680823
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
CID 23010873
2-amino-4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]butanoic acid
CID 54933483
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
6-(2,4-dichlorophenoxy)-1-phenylhexane-1,3-dione
CID 59520440
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
CID 3374858

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid?
The IUPAC name of 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid (CID 70542007) is 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid?
The canonical SMILES for 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid is O=C(O)C(O)C(CCOc1ccc(Cl)cc1Cl)c1cccc2ccccc12.
What is the InChIKey of 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid?
The InChIKey is RJAZYOHNAHGFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2O4/c22-14-8-9-19(18(23)12-14)27-11-10-17(20(24)21(25)26)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,17,20,24H,10-11H2,(H,25,26).
What are the key properties of 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid?
5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid has a molecular weight of 405.28 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)-2-hydroxy-3-naphthalen-1-ylpentanoic acid is sourced from PubChem (CID 70542007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).