(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate

C17H17ClO3 — CID 19179422

IUPAC(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C17H17ClO3/c1-12(2)13-7-3-5-9-15(13)20-11-17(19)21-16-10-6-4-8-14(16)18/h3-10,12H,11H2,1-2H3
InChIKeyFMBSMERPFFWNQP-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.45
Rot. Bonds5

About (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate

(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 19179422) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
PubChem CID19179422
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)Oc1ccccc1Cl
InChIInChI=1S/C17H17ClO3/c1-12(2)13-7-3-5-9-15(13)20-11-17(19)21-16-10-6-4-8-14(16)18/h3-10,12H,11H2,1-2H3
InChIKeyFMBSMERPFFWNQP-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.45
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

N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
(2-chlorophenyl) 2-methoxyacetate
CID 542147
(3,4-dimethylphenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179416
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
5-bromo-2-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854378
propan-2-yl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17160818
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
(2-bromo-4-phenylphenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179427
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate (CID 19179422) is (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is FMBSMERPFFWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-12(2)13-7-3-5-9-15(13)20-11-17(19)21-16-10-6-4-8-14(16)18/h3-10,12H,11H2,1-2H3.
What are the key properties of (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate?
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 304.77 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 19179422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).