(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate

C16H15ClO3 — CID 19172654

IUPAC(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClO3/c1-11-5-3-4-6-14(11)19-10-16(18)20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyNVTXRKBJGCRRIC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.94
Rot. Bonds4

About (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate

(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate (PubChem CID 19172654) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
PubChem CID19172654
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClO3/c1-11-5-3-4-6-14(11)19-10-16(18)20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3
InChIKeyNVTXRKBJGCRRIC-UHFFFAOYSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.94
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

methyl 5-chloro-2-[2-(2-methylphenoxy)acetyl]oxybenzoate
CID 40597884
(4-chloro-2-methylphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 19172651
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
(4-chloro-2-methylphenyl) 2-(4-propan-2-ylphenoxy)acetate
CID 720827
(4-bromo-2,6-dimethylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 3306029
(4-chloro-3-methylphenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 917935
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
methyl 5-bromo-2-[2-(4-chloro-2-methylphenoxy)acetyl]oxybenzoate
CID 17339894
[4-[3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 175219832
(2-methylphenyl) 2-(2,3,5-trimethylphenoxy)acetate
CID 19179491
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate (CID 19172654) is (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C.
What is the InChIKey of (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate?
The InChIKey is NVTXRKBJGCRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-5-3-4-6-14(11)19-10-16(18)20-15-8-7-13(17)9-12(15)2/h3-9H,10H2,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate?
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate has a molecular weight of 290.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 19172654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).