methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate

C17H15ClO4 — CID 146010495

IUPACmethyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)COCc1ccccc1
InChIInChI=1S/C17H15ClO4/c1-21-17(20)15-9-13(18)7-8-14(15)16(19)11-22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyDZWMQDUHJCHEEQ-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.53
Rot. Bonds6

About methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate

methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate (PubChem CID 146010495) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
PubChem CID146010495
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Namemethyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
SMILESCOC(=O)c1cc(Cl)ccc1C(=O)COCc1ccccc1
InChIInChI=1S/C17H15ClO4/c1-21-17(20)15-9-13(18)7-8-14(15)16(19)11-22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKeyDZWMQDUHJCHEEQ-UHFFFAOYSA-N
XLogP3.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
methyl 2-(2-acetyloxyacetyl)-5-chlorobenzoate
CID 146010462
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
1-(4-bromo-2-chlorophenyl)-2-phenylmethoxyethanone
CID 146010879
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
methyl 5-chloro-2-(5-methoxy-5-oxopentanoyl)benzoate
CID 146010482
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
1-(2-chloro-3-methylphenyl)-2-phenylmethoxyethanone
CID 146009929
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate?
The IUPAC name of methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate (CID 146010495) is methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate.
What is the SMILES notation for methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate?
The canonical SMILES for methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate is COC(=O)c1cc(Cl)ccc1C(=O)COCc1ccccc1.
What is the InChIKey of methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate?
The InChIKey is DZWMQDUHJCHEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-21-17(20)15-9-13(18)7-8-14(15)16(19)11-22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3.
What are the key properties of methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate?
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate has a molecular weight of 318.76 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate is sourced from PubChem (CID 146010495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).