methyl 2-[4-(3-methylphenyl)phenyl]acetate

C16H16O2 — CID 75488309

IUPACmethyl 2-[4-(3-methylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-12-4-3-5-15(10-12)14-8-6-13(7-9-14)11-16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyRENHJCMEQMOGMQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.38
Rot. Bonds3

About methyl 2-[4-(3-methylphenyl)phenyl]acetate

methyl 2-[4-(3-methylphenyl)phenyl]acetate (PubChem CID 75488309) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-[4-(3-methylphenyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methylphenyl)phenyl]acetate
PubChem CID75488309
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-[4-(3-methylphenyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-12-4-3-5-15(10-12)14-8-6-13(7-9-14)11-16(17)18-2/h3-10H,11H2,1-2H3
InChIKeyRENHJCMEQMOGMQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[4-(3-methylphenyl)phenyl]butan-2-one
CID 82541284
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
3-[4-[3-(2-methoxy-2-oxoethyl)phenyl]phenyl]propanoic acid
CID 167840837
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
methyl 2-[3-(3-methylphenyl)-1H-pyrrol-2-yl]acetate
CID 135075672
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-methylphenyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(3-methylphenyl)phenyl]acetate (CID 75488309) is methyl 2-[4-(3-methylphenyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methylphenyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(3-methylphenyl)phenyl]acetate is COC(=O)Cc1ccc(-c2cccc(C)c2)cc1.
What is the InChIKey of methyl 2-[4-(3-methylphenyl)phenyl]acetate?
The InChIKey is RENHJCMEQMOGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-4-3-5-15(10-12)14-8-6-13(7-9-14)11-16(17)18-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methylphenyl)phenyl]acetate?
methyl 2-[4-(3-methylphenyl)phenyl]acetate has a molecular weight of 240.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methylphenyl)phenyl]acetate is sourced from PubChem (CID 75488309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).