methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate

C16H15ClO3 — CID 12732376

IUPACmethyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-19-14-5-3-4-12(10-15(18)20-2)16(14)11-6-8-13(17)9-7-11/h3-9H,10H2,1-2H3
InChIKeyAIKJUDLVUQRZIT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate

methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate (PubChem CID 12732376) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
PubChem CID12732376
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1cccc(OC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-19-14-5-3-4-12(10-15(18)20-2)16(14)11-6-8-13(17)9-7-11/h3-9H,10H2,1-2H3
InChIKeyAIKJUDLVUQRZIT-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
1,5-bis[2-(4-hydroxyphenyl)-3-methoxyphenyl]pentane-2,4-dione
CID 23093450
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
CID 115461456
methyl 2-[3-(4-chlorobenzoyl)-2-methylphenyl]acetate
CID 21325981
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
methyl 2-(3-methoxy-2-pyrrolidin-1-ylphenyl)acetate
CID 168513456
methyl 2-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 113456409
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate (CID 12732376) is methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate is COC(=O)Cc1cccc(OC)c1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate?
The InChIKey is AIKJUDLVUQRZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-14-5-3-4-12(10-15(18)20-2)16(14)11-6-8-13(17)9-7-11/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate?
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate has a molecular weight of 290.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate is sourced from PubChem (CID 12732376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).