methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate

C18H18O4 — CID 10590178

IUPACmethyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18O4/c1-12(18(20)22-3)13-6-4-7-14(10-13)17(19)15-8-5-9-16(11-15)21-2/h4-12H,1-3H3
InChIKeyRSKJLVJQVNOJIJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.20
Rot. Bonds5

About methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate

methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate (PubChem CID 10590178) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
PubChem CID10590178
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18O4/c1-12(18(20)22-3)13-6-4-7-14(10-13)17(19)15-8-5-9-16(11-15)21-2/h4-12H,1-3H3
InChIKeyRSKJLVJQVNOJIJ-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
CID 125466881
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-(3-benzoylphenyl)propanoic acid;(2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 118272160
2-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 71423704
methyl 2-[3-(4-tritiophenoxy)phenyl]propanoate
CID 162424494
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate?
The IUPAC name of methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate (CID 10590178) is methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate?
The canonical SMILES for methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate is COC(=O)C(C)c1cccc(C(=O)c2cccc(OC)c2)c1.
What is the InChIKey of methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate?
The InChIKey is RSKJLVJQVNOJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-12(18(20)22-3)13-6-4-7-14(10-13)17(19)15-8-5-9-16(11-15)21-2/h4-12H,1-3H3.
What are the key properties of methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate?
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate has a molecular weight of 298.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate is sourced from PubChem (CID 10590178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).