methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate

C20H24O2 — CID 159099314

IUPACmethyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
SMILESCCCc1ccc(Cc2ccc(CCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-4-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)13-14-20(21)22-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyIGDUFBXFIYTVOJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.34
Rot. Bonds7

About methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate

methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate (PubChem CID 159099314) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
PubChem CID159099314
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Namemethyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate
SMILESCCCc1ccc(Cc2ccc(CCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-4-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)13-14-20(21)22-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyIGDUFBXFIYTVOJ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676
methyl 3-(4-formylphenyl)propanoate
CID 11063253
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-(4-propylsulfonylphenyl)propanoate
CID 82550632
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
CID 91743844

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate (CID 159099314) is methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate is CCCc1ccc(Cc2ccc(CCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate?
The InChIKey is IGDUFBXFIYTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-4-16-5-9-18(10-6-16)15-19-11-7-17(8-12-19)13-14-20(21)22-2/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate?
methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate has a molecular weight of 296.41 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-propylphenyl)methyl]phenyl]propanoate is sourced from PubChem (CID 159099314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).