methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate

C16H14Cl2O3 — CID 57295323

IUPACmethyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
SMILESCOC(=O)COC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-20-15(19)10-21-16(11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9,16H,10H2,1H3
InChIKeyDDVIAVLPHXQWLX-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate

methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate (PubChem CID 57295323) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
PubChem CID57295323
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Namemethyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
SMILESCOC(=O)COC(c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c1-20-15(19)10-21-16(11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9,16H,10H2,1H3
InChIKeyDDVIAVLPHXQWLX-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
CID 54170361
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155564613
(3R)-3-(2,4-dichlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 102173737
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
1-(2,5-dichlorophenyl)-2-(1-phenylethoxy)ethanone
CID 62030672
methyl 3-[1-(2,4-dichlorophenyl)ethylamino]butanoate
CID 43536724
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
3-[(2,4-dichlorophenyl)-phenylmethoxy]-N-(2,4,4-trimethylpentan-2-yl)azetidine-1-carboxamide
CID 142774735
cumene;2,4-dichloro-1-propan-2-ylbenzene
CID 162264964

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate?
The IUPAC name of methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate (CID 57295323) is methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate.
What is the SMILES notation for methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate?
The canonical SMILES for methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate is COC(=O)COC(c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate?
The InChIKey is DDVIAVLPHXQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-20-15(19)10-21-16(11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)18/h2-9,16H,10H2,1H3.
What are the key properties of methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate?
methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate has a molecular weight of 325.19 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate is sourced from PubChem (CID 57295323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).