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

C16H15ClO3 — CID 12732375

IUPACmethyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-15-9-12(11-5-7-14(17)8-6-11)3-4-13(15)10-16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyUXUNGANFJNDKQN-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.73
Rot. Bonds4

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

methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate (PubChem CID 12732375) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
PubChem CID12732375
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Namemethyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15ClO3/c1-19-15-9-12(11-5-7-14(17)8-6-11)3-4-13(15)10-16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyUXUNGANFJNDKQN-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-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
2-[[4-(4-chlorophenyl)-2-methoxyphenyl]methylamino]-3-hydroxypropanoic acid
CID 175174509
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
methyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553977
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
methyl 2-(4-chloro-2-cyclopropylphenyl)acetate
CID 174254257
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
CID 123284882
methyl 4-[4-(4-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 146745627
methyl 3-(5-chloro-2-methoxyphenyl)sulfanylpropanoate
CID 117034051
methyl 2-[5-(chloromethyl)-2-methoxy-4-methylphenyl]acetate
CID 171023050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate (CID 12732375) is methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate is COC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate?
The InChIKey is UXUNGANFJNDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-15-9-12(11-5-7-14(17)8-6-11)3-4-13(15)10-16(18)20-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate?
methyl 2-[4-(4-chlorophenyl)-2-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-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate is sourced from PubChem (CID 12732375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).