naphthalen-2-yl 2-(4-chlorophenoxy)acetate

C18H13ClO3 — CID 721361

IUPACnaphthalen-2-yl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClO3/c19-15-6-9-16(10-7-15)21-12-18(20)22-17-8-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2
InChIKeyQMTFIYDRQYREAM-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.48
Rot. Bonds4

About naphthalen-2-yl 2-(4-chlorophenoxy)acetate

naphthalen-2-yl 2-(4-chlorophenoxy)acetate (PubChem CID 721361) has the molecular formula C18H13ClO3 and a molecular weight of 312.75 g/mol. Its IUPAC name is naphthalen-2-yl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-(4-chlorophenoxy)acetate
PubChem CID721361
Molecular FormulaC18H13ClO3
Molecular Weight312.75 g/mol
Exact Mass312.06
IUPAC Namenaphthalen-2-yl 2-(4-chlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H13ClO3/c19-15-6-9-16(10-7-15)21-12-18(20)22-17-8-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2
InChIKeyQMTFIYDRQYREAM-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthoxyacetic acid
CID 8422
Methyl 2-(naphthalen-2-yloxy)acetate
CID 612186
Sodium (2-naphthyloxy)acetate
CID 23670852
Butanoic acid, 2-(4-((4-chlorophenyl)methyl)-3-methylphenoxy)-2-methyl-, ethyl ester, (+-)-
CID 3054664
2-[(4-Chloronaphthalen-1-yl)oxy]acetic acid
CID 302907
4-Chlorophenyl (3-methylphenoxy)acetate
CID 833499
Methyl alpha-(1-naphthoxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531863
Methyl 2-[4-(4-chlorophenoxy)phenyl]-2-(3,4-dimethylphenoxy)acetate
CID 12531864
Methyl alpha-(5,6,7,8-tetrahydro-1-naphthoxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531865
Methyl alpha-(2-naphthyloxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531867
Methyl alpha-(5,6,7,8-tetrahydro-2-naphthyloxy)-alpha-[p-(p-chlorophenoxy)phenyl]acetate
CID 12531869
Acetic acid, (2-naphthyloxy)-, 2-fluoroethyl ester
CID 20403

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-(4-chlorophenoxy)acetate?
The IUPAC name of naphthalen-2-yl 2-(4-chlorophenoxy)acetate (CID 721361) is naphthalen-2-yl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for naphthalen-2-yl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for naphthalen-2-yl 2-(4-chlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 2-(4-chlorophenoxy)acetate?
The InChIKey is QMTFIYDRQYREAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3/c19-15-6-9-16(10-7-15)21-12-18(20)22-17-8-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2.
What are the key properties of naphthalen-2-yl 2-(4-chlorophenoxy)acetate?
naphthalen-2-yl 2-(4-chlorophenoxy)acetate has a molecular weight of 312.75 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 721361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).