(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate

C17H15ClF2O4 — CID 55423607

IUPAC(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCOc1ccc(Cl)cc1COC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15ClF2O4/c1-22-15-7-4-13(18)9-12(15)10-23-16(21)8-11-2-5-14(6-3-11)24-17(19)20/h2-7,9,17H,8,10H2,1H3
InChIKeyWTBXGVVGSXKDFC-UHFFFAOYSA-N
MW356.75 g/mol
LogP4.24
Rot. Bonds7

About (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate

(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55423607) has the molecular formula C17H15ClF2O4 and a molecular weight of 356.75 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55423607
Molecular FormulaC17H15ClF2O4
Molecular Weight356.75 g/mol
Exact Mass356.06
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCOc1ccc(Cl)cc1COC(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15ClF2O4/c1-22-15-7-4-13(18)9-12(15)10-23-16(21)8-11-2-5-14(6-3-11)24-17(19)20/h2-7,9,17H,8,10H2,1H3
InChIKeyWTBXGVVGSXKDFC-UHFFFAOYSA-N
XLogP4.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
(5-chloro-2-methoxyphenyl)methyl 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 46676029
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9046569
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 43040385
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate (CID 55423607) is (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate is COc1ccc(Cl)cc1COC(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is WTBXGVVGSXKDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2O4/c1-22-15-7-4-13(18)9-12(15)10-23-16(21)8-11-2-5-14(6-3-11)24-17(19)20/h2-7,9,17H,8,10H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate?
(5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 356.75 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55423607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).