2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate

C16H13Cl2N3O3 — CID 86964588

IUPAC2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)OCc1ccc2n[nH]nc2c1
InChIInChI=1S/C16H13Cl2N3O3/c1-9(24-14-4-2-3-11(17)15(14)18)16(22)23-8-10-5-6-12-13(7-10)20-21-19-12/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyBSZYYJDCXZIYGT-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.78
Rot. Bonds5

About 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate

2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate (PubChem CID 86964588) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate
PubChem CID86964588
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)OCc1ccc2n[nH]nc2c1
InChIInChI=1S/C16H13Cl2N3O3/c1-9(24-14-4-2-3-11(17)15(14)18)16(22)23-8-10-5-6-12-13(7-10)20-21-19-12/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyBSZYYJDCXZIYGT-UHFFFAOYSA-N
XLogP3.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 2-(2,3-dichlorophenoxy)propanoate
CID 55684575
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
2H-benzotriazol-5-ylmethyl 2-chloropyridine-3-carboxylate
CID 71988065
(2R)-N-(2-amino-2-oxoethyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide
CID 94207958
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate?
The IUPAC name of 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate (CID 86964588) is 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate.
What is the SMILES notation for 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate?
The canonical SMILES for 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate is CC(Oc1cccc(Cl)c1Cl)C(=O)OCc1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate?
The InChIKey is BSZYYJDCXZIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-9(24-14-4-2-3-11(17)15(14)18)16(22)23-8-10-5-6-12-13(7-10)20-21-19-12/h2-7,9H,8H2,1H3,(H,19,20,21).
What are the key properties of 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate?
2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate has a molecular weight of 366.20 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-ylmethyl 2-(2,3-dichlorophenoxy)propanoate is sourced from PubChem (CID 86964588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).